SCHEMBL7525322

SCHEMBL7525322

COCCOc1cc(C)ccc1S(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 7/20 0.42
ALDH1A1 P00352 5/20 0.42
MAPT P10636 5/20 0.42
HPGD P15428 4/20 0.42
TSHR P16473 2/20 0.42
CYP2C9 P11712 2/20 0.42
USP2 O75604 2/20 0.42
POLB P06746 2/20 0.42
MAPK1 P28482 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALOX12 P18054 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 4/20 0.41
MEP1B Q16820 1/20 0.41
PPARA Q07869 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TTR P02766 1/20 0.40

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
SCHEMBL29922968 0.96 ALDH1A1 (0.44) L3MBTL1ALDH1A1MAPTHPGDTSHR
SCHEMBL2714644 0.96 ALDH1A1 (0.44) L3MBTL1ALDH1A1MAPTHPGDTSHR
SCHEMBL564007 0.96 ALDH1A1 (0.44) L3MBTL1ALDH1A1MAPTHPGDTSHR
SCHEMBL14915168 0.96 ALDH1A1 (0.44) L3MBTL1ALDH1A1MAPTHPGDTSHR
SCHEMBL29039847 0.91 ALDH1A1 (0.41) L3MBTL1ALDH1A1MAPTHPGDTSHR
SCHEMBL22435423 0.86 TSHR (0.43) L3MBTL1ALDH1A1MAPTHPGDTSHR
SCHEMBL6587523 0.84 PDIA6 (0.45) L3MBTL1ALDH1A1MAPTHPGDTSHR
SCHEMBL28505243 0.84 KDM4E (0.42) L3MBTL1ALDH1A1MAPTHPGDTSHR
SCHEMBL25045972 0.82 MEN1 (0.48) L3MBTL1MAPTTSHRPOLBMAPK1
SCHEMBL14542091 0.82 S1PR3 (0.51) ALDH1A1MAPTHPGDTSHRCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0770067-B1 SUBSTITUTED CINNAMIC OXIME AND HYDROXAMIDE DERIVATIVES BASF AG (DE) 2002-03-13 EP disclosed
EP-0770067-A1 SUBSTITUTED CINNAMIC OXIME AND HYDROXAMIDE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1997-05-02 EP disclosed
WO-1996002518-A1 SUBSTITUTED CINNAMIC OXIME AND HYDROXAMIDE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1996-02-01 WO disclosed