SCHEMBL4439697

SCHEMBL4439697

Clc1ccc(COCc2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.71
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
IDO1 P14902 3/20 0.54
AGXT P21549 2/20 0.54
SIGMAR1 Q99720 1/20 0.52
CHRNB2 P17787 1/20 0.50
CHRNA4 P43681 1/20 0.50
DHODH Q02127 1/20 0.48
BCHE P06276 1/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
GRM5 P41594 1/20 0.46

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
SCHEMBL4995796 0.90 IDO1 (0.64) TSHRNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL8995755 0.87 IDO1 (0.61) TSHRNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL9795394 0.87 TSHR (0.94) TSHRIDO1AGXTBCHE
SCHEMBL14503413 0.85 ORAI1 (0.63) TSHRNPC1RAB9ASMN1; SMN2L3MBTL1
Benzene SCHEMBL27997624 0.84 TSHR (1.00) TSHRIDO1AGXT
SCHEMBL27380 0.84 TSHR (1.00) TSHRIDO1AGXT
SCHEMBL5311581 0.84 TSHR (1.00) TSHRIDO1AGXT
Thianthrene SCHEMBL31267249 0.83 TSHR (0.48) TSHRNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL5377522 0.82 TSHR (0.48) TSHRNPC1RAB9ASMN1; SMN2L3MBTL1
Methylene Chloride SCHEMBL27690292 0.82 TSHR (0.83) TSHRNPC1RAB9ASMN1; SMN2L3MBTL1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2134683-A2 NOVEL INHIBITORS HEPATITIS C VIRUS REPLICATION Intermune, Inc. (US) 2009-12-23 EP disclosed
WO-2008100867-A2 NOVEL INHIBITORS HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2008-08-21 WO disclosed
EP-1778634-A1 ISOINDOLONE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS AstraZeneca AB (SE) 2007-05-02 EP disclosed
WO-2006020879-A1 ISOINDOLONE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2006-02-23 WO disclosed
US-4460480-A Protein hydrolyzate compositions for fire fighting containing perfluoroalkyl sulfide terminated oligomers CIBA-GEIGY CORPORATION (US) 1984-07-17 US disclosed
EP-0054699-B1 METHOD FOR THE CATALYTIC HYDROGENOLYSIS OF PARA-SUBSTITUTED BENZALDEHYDE-DIMETHYL ACETALS INTO THE CORRESPONDING BENZYLMETHYL ETHERS HOECHST AKTIENGESELLSCHAFT (DE) 1984-03-14 EP disclosed
US-4413149-A COBALT CARBONYL AND A NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HOECHST AKTIENGESELLSCHAFT (DE) 1983-11-01 US disclosed