SCHEMBL9155171

SCHEMBL9155171

CN/C(=C\[N+](=O)[O-])Nc1ccc(/C=C/CC(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.45
ALDH1A1 P00352 8/20 0.45
LMNA P02545 5/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
GAA P10253 1/20 0.45
PAM P19021 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
MAOB P27338 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 2/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
MAPK1 P28482 1/20 0.36
MAOA P21397 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL9155185 1.00 MAPT (0.45) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL9155176 1.00 MAPT (0.45) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL9156913 0.82 MAPT (0.60) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL9156918 0.82 MAPT (0.60) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL9156908 0.82 MAPT (0.60) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL9213867 0.78 PAM (0.54) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL9210792 0.76 PAM (0.51) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL8828415 0.75 PAM (0.58) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL8828409 0.75 PAM (0.58) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL4914085 0.70 PAM (0.59) MAPTMEN1KMT2APAMTDP1

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-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
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