SCHEMBL27595257

SCHEMBL27595257

CCc1cccc(C(=O)OF)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 1/20 0.53
▸ CYP4F2 P78329 3/20 0.51
▸ CYP4A11 Q02928 3/20 0.51
▸ BCL2 P10415 1/20 0.47
▸ MRGPRX4 Q96LA9 4/20 0.46
▸ KAT6A Q92794 2/20 0.46
▸ SMYD3 Q9H7B4 1/20 0.46
▸ CNR2 P34972 1/20 0.46
▸ SLC7A5 Q01650 2/20 0.45
▸ MEP1B Q16820 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPK1 P28482 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL27862895 0.98 LOXL2 (0.51) LOXL2CYP4F2CYP4A11BCL2MRGPRX4
SCHEMBL9699976 0.85 LOXL2 (0.56) LOXL2CYP4F2CYP4A11BCL2MRGPRX4
SCHEMBL27953730 0.84 LOXL2 (0.70) LOXL2CYP4F2CYP4A11MRGPRX4SLC7A5
SCHEMBL126284 0.83 LOXL2 (0.74) LOXL2CYP4F2CYP4A11MRGPRX4SLC7A5
SCHEMBL129801 0.81 CYP4F2 (0.71) LOXL2CYP4F2CYP4A11MEP1BSMN1; SMN2
SCHEMBL12814230 0.81 LOXL2 (0.53) LOXL2CYP4F2CYP4A11BCL2MRGPRX4
SCHEMBL13954535 0.81 LOXL2 (0.53) LOXL2CYP4F2CYP4A11BCL2MRGPRX4
SCHEMBL13291593 0.81 CYP4F2 (0.62) LOXL2CYP4F2CYP4A11SLC7A5MEP1B
SCHEMBL27525070 0.81 LOXL2 (0.53) LOXL2CYP4F2CYP4A11BCL2MRGPRX4
SCHEMBL27971856 0.81 LOXL2 (0.53) LOXL2CYP4F2CYP4A11BCL2MRGPRX4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103715454-A Lithium ion battery electrolyte and secondary battery containing lithium ion battery electrolyte JIANGXI YOULI NEW MATERIALS CO LTD 2014-04-09 — — CN claimed
CN-110272344-A A kind of camphoryl imidazole type ion liquid and its preparation method and application 南京林业大学 2019-09-24 — — CN disclosed
CN-107074857-A Method for preparing crystallization organic semiconducting materials 巴斯夫欧洲公司 2017-08-18 — — CN disclosed
CN-107004768-A Organic semiconductor composition containing a liquid medium 巴斯夫欧洲公司 2017-08-01 — — CN disclosed
CN-104979588-A Lithium ion battery non-aqueous electrolyte and lithium ion battery SHENZHEN CAPCHEM TECHNOLOGY CO LTD 2015-10-14 — — CN disclosed
CN-103965050-B A kind of halo aromatic ring compounds and preparation method thereof TSINGHUA UNIVERSITY (CN) 2015-09-30 — — CN disclosed
CN-103965050-A Halogenated aromatic ring compound and preparation method thereof UNIV TSINGHUA 2014-08-06 — — CN disclosed
CN-103715454-A Lithium ion battery electrolyte and secondary battery containing lithium ion battery electrolyte JIANGXI YOULI NEW MATERIALS CO LTD 2014-04-09 — — CN disclosed
CN-103517910-A Morpholine-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMA 2014-01-15 — — CN disclosed
CN-103459390-A Macrocyclic integrase inhibitors for use in the treatment of feline immunodeficiency virus ELANCO ANIMAL HEALTH IRELAND 2013-12-18 — — CN disclosed
CN-102186839-A Azetidine polysubstituted compounds, their preparation and their therapeutic use SANOFI AVENTIS 2011-09-14 — — CN disclosed
CN-1942469-B Condensed pyridine derivatives useful as A28 adenosine receptor antagonists ALMIRALL LAB 2010-07-07 — — CN disclosed
CN-101365694-A Heterocycle-substituted 3-alkyl azetidine derivatives MERCK & CO INC (US) 2009-02-11 — — CN disclosed
CN-101268064-A Pyrazine derivatives useful as adenosine receptor antagonists ALMIRALL LAB (ES) 2008-09-17 — — CN disclosed
CN-1942469-A Condensed pyridine derivatives useful as A28 adenosine receptor antagonists ALMIRALL LAB (ES) 2007-04-04 — — CN disclosed
CN-1886402-A pyrimidin-2-amine derivates and their use as a2b adenosine receptor antagonists ALMIRALL PRODESFARMA SA (ES) 2006-12-27 — — CN disclosed
CN-1856473-A Isoquinolinone potassium channel inhibitors MERCK & CO INC (US) 2006-11-01 — — CN disclosed
CN-1688549-A Compound having TGF-beta inhibitory activity and medicinal composition containing the same KIRIN BREWERY (JP) 2005-10-26 — — CN disclosed
CN-1437576-A Substituted aminomethyl-phenyl-cyclohexane derivatives GRUENENTHAL GMBH (DE) 2003-08-20 — — CN disclosed
CN-85107954-A benzoic acid derivatives and their preparation — 1986-04-10 — — CN disclosed
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