SCHEMBL8874576

SCHEMBL8874576

COc1cccc(C=C(NC(=O)OC(C)(C)C)C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 2/20 0.52
FOS P01100 1/20 0.43
JUN P05412 1/20 0.43
BCHE P06276 1/20 0.43
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MAOB P27338 2/20 0.40
KDM4E B2RXH2 2/20 0.40
GLO1 Q04760 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHRM5 P08912 1/20 0.39
GFER P55789 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL8874572 1.00 MEN1 (0.52) MEN1KMT2AALDH1A1FOSJUN
SCHEMBL20212425 0.84 NFKB1 (0.45) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL8953422 0.84 NFKB1 (0.45) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL4886670 0.84 AKR1C3 (0.43) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL4886664 0.84 AKR1C3 (0.43) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL4886669 0.84 AKR1C3 (0.43) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL8653627 0.83 ALDH1A1 (0.58) MEN1KMT2AALDH1A1FOSJUN
SCHEMBL8653628 0.83 ALDH1A1 (0.58) MEN1KMT2AALDH1A1FOSJUN
SCHEMBL20397706 0.79 KDM4E (0.39) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL18833343 0.78 KDM4E (0.36) ALDH1A1JUNMAPTKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5658943-A VASODILATOR FOR CARDIOVASCULAR DISORDER, HYPOTENSIVE AGENT WARNER-LAMBERT COMPANY (US) 1997-08-19 US claimed
US-5658943-A VASODILATOR FOR CARDIOVASCULAR DISORDER, HYPOTENSIVE AGENT WARNER-LAMBERT COMPANY (US) 1997-08-19 US disclosed