SCHEMBL7958296

SCHEMBL7958296

O=C(O)COc1cccc2c1ccn2CCOCCCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 8/20 0.56
PPARG P37231 4/20 0.50
PPARA Q07869 4/20 0.50
BAD Q92934 1/20 0.45
HTR6 P50406 2/20 0.44
BCL2 P10415 2/20 0.44
HRH2 P25021 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
DRD2 P14416 1/20 0.42
S1PR5 Q9H228 1/20 0.41
PPARD Q03181 1/20 0.41

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
SCHEMBL7948387 0.93 MCL1 (0.55) MCL1PPARGPPARABADHTR6
SCHEMBL7959220 0.88 MCL1 (0.59) MCL1PPARGPPARABADHTR6
SCHEMBL7962451 0.86 HTR6 (0.47) MCL1BADHTR6BCL2TDP1
SCHEMBL7960467 0.83 MCL1 (0.53) MCL1PPARGPPARABADHTR6
SCHEMBL7958447 0.81 MCL1 (0.54) MCL1PPARGPPARABADHTR6
SCHEMBL7958451 0.80 HTR2C (0.49) MCL1BADHTR6
SCHEMBL7959506 0.79 MCL1 (0.60) MCL1PPARGPPARABADHTR6
SCHEMBL7948724 0.78 MCL1 (0.55) MCL1PPARGPPARABADHTR6
SCHEMBL7959081 0.78 MCL1 (0.53) MCL1PPARGPPARABADHTR6
SCHEMBL7960155 0.78 MCL1 (0.59) MCL1PPARGPPARABADHTR6

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