SCHEMBL7794286

SCHEMBL7794286

[CH2]CCC(C)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
IDO1 P14902 1/20 0.39
MAPT P10636 1/20 0.39
SLC1A3 P43003 2/20 0.39
SLC1A2 P43004 2/20 0.39
SLC1A1 P43005 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
RCE1 Q9Y256 1/20 0.38
AGXT P21549 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
SLC6A2 P23975 2/20 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
SCHEMBL7220317 0.84 TSHR (0.44) TSHRIDO1MAPTSLC1A3SLC1A2
SCHEMBL10245222 0.82 TSHR (0.43) TSHRIDO1MAPTSLC1A3SLC1A2
SCHEMBL6800327 0.82 ALDH1A1 (0.43) TSHRIDO1MAPTSLC1A3SLC1A2
SCHEMBL14118736 0.82 BCHE (0.46) TSHRMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL7850044 0.82 TSHR (0.43) TSHRIDO1MAPTSLC1A3SLC1A2
SCHEMBL7800118 0.81 TSHR (0.39) TSHRIDO1MAPTSLC1A3SLC1A2
SCHEMBL23647056 0.81 IDO1 (0.43) TSHRIDO1MAPTSLC1A3SLC1A2
SCHEMBL11763618 0.81 TSHR (0.41) TSHRIDO1MAPTSLC1A3SLC1A2
SCHEMBL22092032 0.81 SLC1A3 (0.42) TSHRIDO1MAPTSLC1A3SLC1A2
SCHEMBL4722884 0.81 TSHR (0.41) TSHRIDO1MAPTSLC1A3SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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