SCHEMBL9715711

SCHEMBL9715711

O=[N+]([O-])C1(C=CC=Cc2ccccc2)C=CC=CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.38
MAOB P27338 3/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
APP P05067 4/20 0.34
ALDH1A1 P00352 2/20 0.34
TRPA1 O75762 1/20 0.34
LMNA P02545 1/20 0.34
ALOX5 P09917 1/20 0.34
MAPK1 P28482 1/20 0.34
NFE2L2 Q16236 1/20 0.34
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL9715733 0.72 MAOB (0.40) MAOBNPC1RAB9AALDH1A1TRPA1
SCHEMBL9715739 0.70 MAOB (0.41) MAOBNPC1RAB9AALDH1A1TRPA1
SCHEMBL9715775 0.69 MAOB (0.40) MAOBALDH1A1TRPA1LMNAALOX5
SCHEMBL6363554 0.68
SCHEMBL9715750 0.68 HDAC3 (0.38) MAOBNPC1RAB9AALDH1A1LMNA
SCHEMBL9715762 0.67 MAOB (0.37) MAOBNPC1RAB9AALDH1A1TRPA1
SCHEMBL28136076 0.66 MAOB (0.37) MAOBALDH1A1TRPA1LMNAALOX5
SCHEMBL8742114 0.65 MAOB (0.35) MAOBALDH1A1TRPA1LMNAALOX5
SCHEMBL28343173 0.64 MAOB (0.34) MAOBALDH1A1TRPA1LMNAALOX5
SCHEMBL10522261 0.64 ALDH1A1 (0.32) ALDH1A1LMNAHDAC4

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
EP-0304495-B1 PROCESS FOR SELECTIVELY MONOHYDROESTERIFYING DIOLEFIN NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1992-05-27 EP disclosed
US-4908473-A Reacting a (1-arylethenyl)vinylbenzene with carbon monoxide and water or alcohol in the presence of carbonylation catalyst NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1990-03-13 US disclosed
EP-0304495-A1 PROCESS FOR SELECTIVELY MONOHYDROESTERIFYING DIOLEFIN NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1989-03-01 EP disclosed