SCHEMBL9160652

SCHEMBL9160652

O=C(O)CC=Cc1ccc(-n2ccc(=O)cc2)s1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PAM P19021 1/20 0.40
ALDH1A1 P00352 1/20 0.31
CYP2D6 P10635 1/20 0.31
ALOX15 P16050 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL9160639 1.00 PAM (0.40) PAMALDH1A1CYP2D6ALOX15KMT2A
SCHEMBL8828161 0.79 TBXAS1 (0.39) PAMALDH1A1CYP2D6KMT2A
SCHEMBL8828171 0.79 TBXAS1 (0.39) PAMALDH1A1CYP2D6KMT2A
SCHEMBL9158841 0.73 PAM (0.54) PAMALDH1A1CYP2D6ALOX15KMT2A
SCHEMBL9158830 0.73 PAM (0.54) PAMALDH1A1CYP2D6ALOX15KMT2A
SCHEMBL10796425 0.66 TBXAS1 (0.51) PAMALDH1A1KMT2A
SCHEMBL10801704 0.65 PAM (0.47) PAMALDH1A1
SCHEMBL10796438 0.63 PAM (0.45) PAM
SCHEMBL6022622 0.63 KDM4E (0.52) PAMKMT2A
SCHEMBL6022618 0.63 KDM4E (0.52) PAMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5430059-A Treating heart disease EISAI CO., LTD. (JP) 1995-07-04 US disclosed
EP-0633248-A1 Butenoic acid derivatives Eisai Co., Ltd. (JP) 1995-01-11 EP disclosed
EP-0589491-A1 Butenoic acid derivatives Eisai Co., Ltd. (JP) 1994-03-30 EP disclosed
US-5292770-A Butenoic acid derivatives EISAI CO., LTD. (JP) 1994-03-08 US disclosed
US-5166188-A Cardiovascular disorders, antiischemic agents EISAI CO., LTD. (JP) 1992-11-24 US disclosed
EP-0399358-A2 Butenoic acid derivatives Eisai Co., Ltd. (JP) 1990-11-28 EP disclosed