SCHEMBL16147696

SCHEMBL16147696

C=CC=CC(C=Cc1ccccc1)=C(C=CC(=O)O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
TNKS O95271 1/20 0.50
HCAR2 Q8TDS4 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
TNKS2 Q9H2K2 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
CYP1B1 Q16678 7/20 0.46
MAPT P10636 4/20 0.46
MAOB P27338 3/20 0.46
PLIN1 O60240 2/20 0.46
LMNA P02545 2/20 0.46
RECQL P46063 2/20 0.46

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
SCHEMBL4657359 0.94 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL5146781 0.90 CYP1B1 (0.44) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL27184 0.90 CYP1B1 (0.44) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL1003800 0.88 CYP1B1 (0.46) HDAC3HDAC4HDAC1HDAC2HDAC8
Styrene SCHEMBL1946755 0.85 ALDH1A1 (0.42) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL1686029 0.85 CYP1B1 (0.43) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL15255168 0.82 GLA (0.44) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL3939691 0.82 MAPT (0.43) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL251132 0.81 AKT1 (0.33) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL18833161 0.79 AKT1 (0.39) CYP1B1MAPTMAOBPLIN1LMNA

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-9328234-B2 Poly((meth)acrylic acid-b-styrene-b-butadiene-b-styrene) block copolymer latex and method for preparing the same ZHEJIANG UNIVERSITY (CN) 2016-05-03 US disclosed
US-20140303280-A1 POLY((METH)ACRYLIC ACID-B-STYRENE-B-BUTADIENE-B-STYRENE) BLOCK COPOLYMER LATEX AND METHOD FOR PREPARING THE SAME ZHEJIANG UNIVERSITY (CN) 2014-10-09 US disclosed