SCHEMBL9210792

SCHEMBL9210792

CNC(=S)Nc1ccc(/C=C/CC(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAM P19021 1/20 0.51
ALDH1A1 P00352 6/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MAOB P27338 1/20 0.48
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP1A2 P05177 1/20 0.47
GAA P10253 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
MEN1 O00255 2/20 0.44
POLB P06746 2/20 0.44
LMNA P02545 1/20 0.44
BLM P54132 1/20 0.44
RAB9A P51151 1/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL9213200 0.86 KDM4C (0.49) PAMALDH1A1L3MBTL1MAOBMAPT
SCHEMBL9213867 0.85 PAM (0.54) PAMALDH1A1MAOBMAPTSMN1; SMN2
SCHEMBL9212612 0.83 KMT2A (0.56) PAMALDH1A1MAOBMAPTSMN1; SMN2
SCHEMBL8828409 0.81 PAM (0.58) PAMALDH1A1L3MBTL1MAOBMAPT
SCHEMBL8828415 0.81 PAM (0.58) PAMALDH1A1L3MBTL1MAOBMAPT
SCHEMBL15106073 0.81 MAPT (0.58) ALDH1A1L3MBTL1MAPTSMN1; SMN2CYP1A2
SCHEMBL15106075 0.81 MAPT (0.58) ALDH1A1L3MBTL1MAPTSMN1; SMN2CYP1A2
SCHEMBL9155176 0.76 MAPT (0.45) PAMALDH1A1L3MBTL1MAOBMAPT
SCHEMBL9155171 0.76 MAPT (0.45) PAMALDH1A1L3MBTL1MAOBMAPT
SCHEMBL9155185 0.76 MAPT (0.45) PAMALDH1A1L3MBTL1MAOBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0399358-B1 Butenoic acid derivatives EISAI CO LTD (JP) 1995-03-08 EP 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
EP-0399358-A2 Butenoic acid derivatives Eisai Co., Ltd. (JP) 1990-11-28 EP disclosed