SCHEMBL8828259

SCHEMBL8828259

COc1ccc(CCN(C)CCCNC(=O)/C=C/c2ccc(F)cc2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.62
LMNA P02545 2/20 0.58
ALDH1A1 P00352 3/20 0.57
KDM4E B2RXH2 2/20 0.57
PKM P14618 1/20 0.57
HPGD P15428 1/20 0.54
HTT P42858 1/20 0.54
MEN1 O00255 1/20 0.52
OPRM1 P35372 1/20 0.52
OPRD1 P41143 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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 0.92 KDM4E (0.66) MAPTLMNAALDH1A1KDM4EPKM
SCHEMBL8828333 0.91 MAPT (0.58) MAPTLMNAALDH1A1KDM4EPKM
SCHEMBL8828385 0.91 MAPT (0.76) MAPTLMNAALDH1A1KDM4EPKM
SCHEMBL8828364 0.91 MAPT (0.76) MAPTLMNAALDH1A1KDM4EPKM
SCHEMBL8828183 0.91 MAPT (0.63) MAPTLMNAALDH1A1KDM4EPKM
SCHEMBL8828278 0.90 MAPT (0.62) MAPTLMNAALDH1A1KDM4EPKM
SCHEMBL8828561 0.90 LMNA (0.61) MAPTLMNAALDH1A1KDM4EPKM
SCHEMBL8828311 0.89 MAPT (0.60) MAPTLMNAALDH1A1KDM4EPKM
SCHEMBL8828430 0.88 MAPT (0.59) MAPTLMNAALDH1A1KDM4EPKM
SCHEMBL8828130 0.88 MAPT (0.59) MAPTLMNAALDH1A1KDM4EPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0344577-B1 Butenoic or propenoic acid derivatives EISAI CO LTD (JP) 1996-10-09 EP claimed
US-5382595-A Antiischemic agents EISAI CO., LTD. (JP) 1995-01-17 US claimed
EP-0344577-A2 Butenoic or propenoic acid derivatives Eisai Co., Ltd. (JP) 1989-12-06 EP claimed
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
US-5047417-A Butenoic or propenoic acid derivatives EISAI CO. LTD. (JP) 1991-09-10 US disclosed
EP-0344577-A2 Butenoic or propenoic acid derivatives Eisai Co., Ltd. (JP) 1989-12-06 EP disclosed