SCHEMBL9534751

SCHEMBL9534751

C(C=Cc1ccc[nH]1)=Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.58
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
RAB9A P51151 5/20 0.49
MAPT P10636 4/20 0.49
MAPK1 P28482 3/20 0.45
LMNA P02545 2/20 0.45
ALDH1A1 P00352 2/20 0.45
TRPA1 O75762 1/20 0.45
ALOX5 P09917 1/20 0.45
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40

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
SCHEMBL9534745 1.00 MAOB (0.58) MAOBCYP1A2CYP2D6RAB9AMAPT
SCHEMBL14962619 0.98 MAOB (0.56) MAOBCYP1A2CYP2D6RAB9AMAPT
SCHEMBL2459012 0.87 MAPT (0.52) MAOBCYP1A2CYP2D6RAB9AMAPT
SCHEMBL11664002 0.87 MAPT (0.52) MAOBCYP1A2CYP2D6RAB9AMAPT
SCHEMBL2459013 0.87 MAPT (0.52) MAOBCYP1A2CYP2D6RAB9AMAPT
SCHEMBL27473918 0.77 MAPT (0.42) CYP1A2CYP2D6RAB9AMAPTMAPK1
SCHEMBL13825859 0.77 MAPT (0.42) CYP1A2CYP2D6RAB9AMAPTMAPK1
SCHEMBL2464133 0.77 MAPT (0.52) RAB9AMAPTMAPK1LMNAALDH1A1
SCHEMBL2464131 0.77 MAPT (0.52) RAB9AMAPTMAPK1LMNAALDH1A1
SCHEMBL23458007 0.76 MAOB (1.00) MAOBCYP1A2CYP2D6RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5187288-A Electrically neutral, photostable, narrow absorption and emission spectra MOLECULAR PROBES, INC. (US) 1993-02-16 US disclosed