SCHEMBL243902

SCHEMBL243902

Cc1cc(C)c(C(=O)O)c(C=O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.52
CYP3A4 P08684 2/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 5/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
SRC P12931 2/20 0.43
ACHE P22303 1/20 0.42
CYP19A1 P11511 1/20 0.41
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TPMT P51580 1/20 0.40
MAPK1 P28482 1/20 0.40
POLB P06746 4/20 0.39
ALOX12 P18054 1/20 0.39
MEN1 O00255 1/20 0.39
MPI P34949 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 1/20 0.37
CASP6 P55212 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37

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
SCHEMBL377596 0.80 KDM4E (0.55) CYP3A4MAPTKDM4EL3MBTL1ACHE
SCHEMBL21870 0.80 KDM4E (0.55) CYP3A4MAPTKDM4EL3MBTL1ACHE
Formamide SCHEMBL28038646 0.79 KDM4E (0.48) CYP3A4MAPTKDM4EL3MBTL1ACHE
SCHEMBL6915288 0.78 KDM4E (0.53) CYP3A4MAPTKDM4EL3MBTL1ACHE
SCHEMBL17558193 0.78 KDM4E (0.53) CYP3A4MAPTKDM4EL3MBTL1ACHE
SCHEMBL6917032 0.78 KDM4E (0.53) CYP3A4MAPTKDM4EL3MBTL1ACHE
Bicarbonate SCHEMBL7975060 0.78 KDM4E (0.53) CYP3A4MAPTKDM4EL3MBTL1ACHE
Hydrochloric Acid SCHEMBL5167636 0.78 KDM4E (0.53) CYP3A4MAPTKDM4EL3MBTL1ACHE
SCHEMBL6912557 0.78 KDM4E (0.53) CYP3A4MAPTKDM4EL3MBTL1ACHE
SCHEMBL6915449 0.78 KDM4E (0.53) CYP3A4MAPTKDM4EL3MBTL1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103214409-B The synthesis of tsiklomitsin and analogue thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-10-21 CN claimed
CN-101027279-B Synthesis of tetracyclines and analogues thereof HARVARD COLLEGE 2013-03-27 CN claimed
CN-110520117-A Substituted eutectic of glycine compound and application thereof SYNEURX INT TAIWAN CORP 2019-11-29 CN disclosed
CN-110225914-A Bicyclic urea kinase inhibitor and application thereof 布罗德研究所股份有限公司 2019-09-10 CN disclosed
CN-109666637-A The application of 2 T of V γ 9V δ and its agonist in treatment liver fibrosis, cirrhosis and liver cancer 清华大学 2019-04-23 CN disclosed
CN-109651429-A The small molecule agonist of 2 T cell of V γ 9V δ of efficient stable 清华大学 2019-04-19 CN disclosed
CN-109563024-A Eutectic of lithium benzoate and use thereof 心悦生医股份有限公司 2019-04-02 CN disclosed
CN-109563018-A Eutectic of sodium benzoate and application thereof 心悦生医股份有限公司 2019-04-02 CN disclosed
CN-105814112-B Surfactant based on aliphatic polycarbonate 萨索尔化学品(美国)有限责任公司 2019-03-08 CN disclosed
CN-109071456-A MAX binding agents as MYC modulators and uses thereof 麻省理工学院 2018-12-21 CN disclosed
CN-109069508-A EZH2 inhibitor and application thereof 达纳-法伯癌症研究所股份有限公司 2018-12-21 CN disclosed
CN-1649885-A Cellular Accumulation of Phosphonate Analogs of HIV Protease Inhibitor Compounds and Such Compounds GILEAD SCIENCES INC (US) 2005-08-03 CN disclosed
CN-1603291-A Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMA INC (US) 2005-04-06 CN disclosed
CN-1168717-C Novel intermediates for the preparation of antihistaminic piperidine derivatives Ĭ���ҩ�﹫˾ 2004-09-29 CN disclosed
CN-1159277-C New intermediate for preparation of anti-histamine piperidine derivatives Ĭ���ҩ�﹫˾ 2004-07-28 CN disclosed
CN-1501921-A Diamine, acid dianhydride, polyimide composition having reactive group and comprising the same, and method for producing the same 钟渊化学工业株式会社 2004-06-02 CN disclosed
CN-1500800-A Nucleoside analogs as antiviral agents for retroviral reverse transcriptase and DNA polymerase inhibitors ά 2004-06-02 CN disclosed
CN-1274711-A New intermediate for preparation of anti-histamine piperidine derivatives MERRELL DOW PHARMA (US) 2000-11-29 CN disclosed
CN-1128987-A Novel intermediates for the preparation of antihistaminic piperidine derivatives MERRELL DOW PHARMA (US) 1996-08-14 CN disclosed
US-3935278-A MOLYBDENUM OR VANADIUM CONTAINING CATALYST ATLANTIC RICHFIELD COMPANY (US) 1976-01-27 US disclosed