SCHEMBL8828385

SCHEMBL8828385

COc1ccc(/C=C/C(=O)NCCCN(C)CCc2ccc(OC)c(OC)c2)cc1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.76
LMNA P02545 3/20 0.64
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
OPRM1 P35372 1/20 0.63
OPRD1 P41143 1/20 0.63
HPGD P15428 1/20 0.60
HTT P42858 1/20 0.60
CYP3A4 P08684 3/20 0.58
CYP2C9 P11712 3/20 0.58
CYP2C19 P33261 3/20 0.58
ALDH1A1 P00352 5/20 0.58
KDM4E B2RXH2 2/20 0.58
PKM P14618 1/20 0.58
GAA P10253 1/20 0.53
CYP2D6 P10635 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL8828185 0.93 KDM4E (0.66) MAPTLMNAHPGDHTTALDH1A1
SCHEMBL8828165 0.92 MAPT (0.63) MAPTLMNAMEN1KMT2AOPRM1
SCHEMBL8828364 0.92 MAPT (0.76) MAPTLMNAMEN1KMT2AOPRM1
SCHEMBL8828183 0.92 MAPT (0.63) MAPTLMNAMEN1KMT2AOPRM1
SCHEMBL8828278 0.91 MAPT (0.62) MAPTLMNAMEN1KMT2AOPRM1
SCHEMBL8828259 0.91 MAPT (0.62) MAPTLMNAMEN1KMT2AOPRM1
SCHEMBL8828311 0.90 MAPT (0.60) MAPTLMNAMEN1KMT2AOPRM1
SCHEMBL8828411 0.89 MAPT (0.59) MAPTLMNAMEN1KMT2AOPRM1
SCHEMBL9467849 0.89 KDM4E (0.61) MAPTLMNAKMT2AOPRM1HPGD
SCHEMBL8828361 0.89 MAPT (0.59) MAPTLMNAMEN1KMT2AOPRM1

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