SCHEMBL7794232

SCHEMBL7794232

[CH2]CC(CCC)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 0.37
SLC1A3 P43003 2/20 0.37
SLC1A2 P43004 2/20 0.37
SLC1A1 P43005 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
IDO1 P14902 1/20 0.36
TP53 P04637 1/20 0.35
AGXT P21549 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL13672306 0.89 TSHR (0.44) TSHRPPARGPPARASLC1A3SLC1A2
SCHEMBL27545075 0.85 TSHR (0.41) TSHRSLC1A3SLC1A2SLC1A1MEN1
SCHEMBL13672302 0.85 TSHR (0.41) TSHRPPARGPPARASLC1A3SLC1A2
SCHEMBL28379863 0.85 TSHR (0.41) TSHRPPARGPPARASLC1A3SLC1A2
SCHEMBL7794314 0.85 TSHR (0.41) TSHRSLC1A3SLC1A2SLC1A1MEN1
SCHEMBL28161709 0.85 TSHR (0.35) TSHRPPARGPPARASLC1A3SLC1A2
SCHEMBL24566617 0.82 CHRNB2 (0.41) TSHRPPARGPPARASLC1A3SLC1A2
SCHEMBL28230358 0.82 PPARG (0.40) TSHRPPARGPPARASLC1A3SLC1A2
SCHEMBL15541563 0.82 CTSK (0.43) TSHRPPARGPPARASLC1A3SLC1A2
SCHEMBL8440117 0.81 MMP12 (0.46) PPARGPPARASLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1131213-C Carbostyril derivatives as antithrombotic agents NISHI MEDICAL RES INST CO LTD (JP) 2003-12-17 CN disclosed
EP-0796248-B1 CARBOSTYRIL DERIVATIVES AS ANTITHROMBOTIC AGENTS WESTERN THERAPEUTICS INST D (JP) 2001-08-16 EP disclosed
US-6143763-A Carbostyril derivatives D. WESTERN THERAPEUTICS INSTITIUTE (JP) 2000-11-07 US disclosed
CN-1172478-A Quinolone derivative antithrombotic agent OTSUKA PHARMA CO LTD (JP) 1998-02-04 CN disclosed
EP-0796248-A1 CARBOSTYRIL DERIVATIVES AS ANTITHROMBOTIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-09-24 EP disclosed
WO-1997012869-A1 CARBOSTYRIL DERIVATIVES AS ANTITHROMBOTIC AGENTS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1997-04-10 WO disclosed