SCHEMBL7958722

SCHEMBL7958722

[CH2]CC(O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.43
LMNA P02545 4/20 0.43
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPK1 P28482 1/20 0.39
AOC3 Q16853 3/20 0.39
TSHR P16473 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HTR2A P28223 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2C P18825 1/20 0.37
HIF1A Q16665 1/20 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
SCHEMBL17359704 0.81 SLC6A2 (0.52) LMNAKDM4EL3MBTL1AOC3TSHR
SCHEMBL301347 0.78 LMNA (0.44) TACR1LMNAKDM4EL3MBTL1MAPK1
SCHEMBL246459 0.78 LMNA (0.44) TACR1LMNAKDM4EL3MBTL1MAPK1
SCHEMBL17593226 0.77 LMNA (0.45) LMNAKDM4EAOC3TSHRHTR2A
SCHEMBL19340077 0.76 TACR1 (0.43) TACR1LMNAKDM4EL3MBTL1MAPK1
SCHEMBL11633696 0.76 TAAR1 (0.54) TACR1LMNAAOC3SLC6A2SLC6A4
SCHEMBL6489407 0.76 TACR1 (0.43) TACR1LMNAKDM4EL3MBTL1MAPK1
SCHEMBL13567490 0.76 LMNA (0.60) TACR1LMNAKDM4EL3MBTL1AOC3
SCHEMBL11635324 0.76 TACR1 (0.43) TACR1LMNAKDM4EL3MBTL1MAPK1
SCHEMBL245680 0.76 CYP2C19 (0.53) TACR1LMNAKDM4EL3MBTL1MAPK1

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
US-6323235-B1 CARDIOVASCULAR DISORDERS, ANTIISCHEMIC AGENTS AND ENZYME INHIBITORS OHTAKE ATSUSHI (JP) 2001-11-27 US disclosed
US-6043264-A A THROMBOXANE A2 RECEPTOR ANTAGONIST FOR TREATING HYPERTENSION, THROMBOSIS, ISCHEMIC HEART DISEASES, CIRCULATORY DISEASES, ARTERIOSCLEROSIS, PLATELET FUNCTION DISORDER, HYPERLIPIDEMIA, NEPHRITIS OR ASTHMA TORAY INDUSTRIES, INC. (JP) 2000-03-28 US disclosed
EP-0751126-A1 BENZENE-FUSED HETEROCYCLIC DERIVATIVE AND USE OF THE SAME TORAY INDUSTRIES, INC. (JP) 1997-01-02 EP disclosed