SCHEMBL8828362

SCHEMBL8828362

COc1cccc(/C=C/CC(=O)NCCCN(C)CCc2ccc(OC)c(OC)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.59
HPGD P15428 1/20 0.59
HTT P42858 1/20 0.59
OPRM1 P35372 3/20 0.50
TMEM97 Q5BJF2 3/20 0.50
SIGMAR1 Q99720 3/20 0.50
CYP3A4 P08684 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
MAPT P10636 5/20 0.46
GAA P10253 1/20 0.46
THRB P10828 1/20 0.46
OPRK1 P41145 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL8828131 0.92 CYP3A4 (0.52) HPGDOPRM1TMEM97SIGMAR1CYP3A4
SCHEMBL8828550 0.91 OPRM1 (0.49) LMNAHPGDHTTOPRM1TMEM97
SCHEMBL8828235 0.91 MAPT (0.56) LMNAHPGDOPRM1TMEM97SIGMAR1
SCHEMBL8828332 0.89 OPRM1 (0.47) LMNAHPGDHTTOPRM1TMEM97
SCHEMBL8828147 0.87 MAPT (0.56) LMNAHPGDOPRM1TMEM97SIGMAR1
SCHEMBL8828322 0.87 ALDH1A1 (0.56) LMNAHPGDOPRM1TMEM97SIGMAR1
SCHEMBL8828272 0.86 OPRM1 (0.47) HPGDOPRM1TMEM97SIGMAR1CYP3A4
SCHEMBL8828659 0.86 CDK8 (0.49) LMNAHPGDHTTOPRM1TMEM97
SCHEMBL8828188 0.86 LMNA (0.49) LMNAOPRM1TMEM97SIGMAR1CYP3A4
SCHEMBL8828274 0.86 OPRM1 (0.49) HPGDOPRM1TMEM97SIGMAR1CYP3A4

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
US-5607953-A ANTIISCHEMIC AGENTS EISAI CO., LTD. (JP) 1997-03-04 US disclosed
EP-0344577-B1 Butenoic or propenoic acid derivatives EISAI CO LTD (JP) 1996-10-09 EP disclosed
US-5382595-A Antiischemic agents EISAI CO., LTD. (JP) 1995-01-17 US disclosed
US-5177089-A Antiischemic agent, vasodilator EISAI CO., LTD. (JP) 1993-01-05 US disclosed
EP-0344577-A2 Butenoic or propenoic acid derivatives Eisai Co., Ltd. (JP) 1989-12-06 EP disclosed