SCHEMBL8828561

SCHEMBL8828561

COc1ccc(CCN(C)CCCNC(=O)/C=C/c2cccc(F)c2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.61
HPGD P15428 1/20 0.61
HTT P42858 1/20 0.61
MAPT P10636 4/20 0.60
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 2/20 0.56
PKM P14618 1/20 0.54
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
OPRM1 P35372 1/20 0.48
TMEM97 Q5BJF2 1/20 0.48
SIGMAR1 Q99720 1/20 0.48

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
SCHEMBL8828259 0.90 MAPT (0.62) LMNAHPGDHTTMAPTALDH1A1
SCHEMBL8828185 0.90 KDM4E (0.66) LMNAHPGDHTTMAPTALDH1A1
SCHEMBL8828303 0.89 HPGD (0.61) LMNAHPGDHTTMAPTALDH1A1
SCHEMBL8828333 0.89 MAPT (0.58) LMNAHPGDHTTMAPTALDH1A1
SCHEMBL10339003 0.89 LMNA (0.58) LMNAHPGDHTTMAPTALDH1A1
SCHEMBL10339002 0.89 LMNA (0.58) LMNAHPGDHTTMAPTALDH1A1
SCHEMBL8828550 0.88 OPRM1 (0.49) LMNAHPGDHTTMAPTALDH1A1
SCHEMBL8828302 0.87 LMNA (0.58) LMNAHPGDHTTMAPTALDH1A1
SCHEMBL9467849 0.85 KDM4E (0.61) LMNAHPGDHTTMAPTALDH1A1
SCHEMBL8828304 0.85 SMPD1 (0.49) LMNAHPGDHTTMAPTALDH1A1

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-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