SCHEMBL7656620

SCHEMBL7656620

COC(=O)c1ccccc1-c1ccc(Br)cc1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.61
ALDH1A1 P00352 2/20 0.53
GAA P10253 1/20 0.53
SLC6A4 P31645 3/20 0.49
SLC6A2 P23975 1/20 0.49
HSD17B3 P37058 1/20 0.48
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NR4A2 P43354 1/20 0.44
MAPK1 P28482 1/20 0.44
FOLH1 Q04609 1/20 0.44
HSD17B10 Q99714 3/20 0.44
ROCK2 O75116 1/20 0.44
CSF1R P07333 1/20 0.44
KDR P35968 1/20 0.44

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
SCHEMBL8542007 0.85 SLC6A3 (0.61) SLC6A3ALDH1A1GAASLC6A4SLC6A2
Dimethyl Phthalate SCHEMBL29269027 0.84 ALDH1A1 (0.56) SLC6A3ALDH1A1GAAHTTKMT2A
SCHEMBL21102391 0.84 SLC6A3 (0.60) SLC6A3ALDH1A1GAASLC6A4SLC6A2
SCHEMBL21102274 0.84 SLC6A3 (0.60) SLC6A3ALDH1A1GAASLC6A4SLC6A2
SCHEMBL6437163 0.84 SLC6A3 (0.59) SLC6A3ALDH1A1GAASLC6A4SLC6A2
SCHEMBL2482051 0.84 NR4A2 (0.54) SLC6A3ALDH1A1GAAHTTTSHR
SCHEMBL7662247 0.82 ALDH1A1 (0.51) SLC6A3ALDH1A1GAASLC6A4SLC6A2
SCHEMBL3168568 0.81 SLC6A3 (0.65) SLC6A3ALDH1A1GAASLC6A4SLC6A2
SCHEMBL21102272 0.81 SLC6A3 (0.65) SLC6A3ALDH1A1GAASLC6A4SLC6A2
SCHEMBL21102267 0.81 SLC6A3 (0.52) SLC6A3ALDH1A1GAASLC6A4SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6358960-B1 FOR THERAPY OF INTRAVASCULAR COAGULATION, CORONARY THROMBOSIS, CEREBRAL INFARCTION, CEREBRAL EMBOLISM, TRANSIENT ISCHEMIC ATTACK, CEREBROVASCULAR DISORDERS, PULMONARY VASCULAR DISEASES, DEEP VENOUS THROMBOSIS, ETC. ONO PHARMACEUTICAL CO., LTD. (JP) 2002-03-19 US disclosed
EP-1078917-A1 AMIDINO DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-02-28 EP disclosed