SCHEMBL11565801

SCHEMBL11565801

O=C(O)c1ccccc1C1(C(=O)O)CCc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC9 Q9UKV0 1/20 0.54
RBP4 P02753 1/20 0.46
HCAR2 Q8TDS4 1/20 0.44
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 1/20 0.41
KDM1A O60341 2/20 0.40
MAOB P27338 1/20 0.40
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
HMGB1 P09429 1/20 0.36
HPGD P15428 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36

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
SCHEMBL4432306 0.81 HDAC9 (0.71) HDAC9HCAR2KDM1AMAOBTSHR
SCHEMBL9408420 0.76 HDAC9 (0.49) HDAC9RBP4HCAR2ALDH1A1ALOX15
SCHEMBL11190038 0.75 HDAC9 (0.58) HDAC9HCAR2KDM1AMAOBKDM4E
SCHEMBL30386361 0.74 RBP4 (0.46) HDAC9RBP4HCAR2ALDH1A1ALOX15
SCHEMBL29013818 0.74 RBP4 (0.46) HDAC9RBP4HCAR2ALDH1A1ALOX15
SCHEMBL433287 0.72 HDAC9 (0.50) HDAC9RBP4HCAR2ALDH1A1KDM1A
SCHEMBL27359306 0.72 HDAC9 (0.55) HDAC9
SCHEMBL27728415 0.72 HDAC9 (0.55) HDAC9HCAR2ALDH1A1KDM1AKDM5A
SCHEMBL23920039 0.70 AKR1C1 (0.60) ALDH1A1ALOX15KDM4ECA12CA1
SCHEMBL1981942 0.70 HDAC9 (0.49) HDAC9RBP4HCAR2ALDH1A1KDM1A

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
US-3996201-A MOLDING CIBA-GEIGY CORPORATION (US) 1976-12-07 US claimed
US-4175207-A TETRAALKALI SALTS OF 3,3',4,4'-BENZOPHENONE TETRACARBOXYLIC ACID ELLIOTT STANLEY B 1979-11-20 US disclosed
US-4166891-A BENZOPHENONE TETRACARBOXYLIC ACID SALT COMPLEXED WITH A POLYMER ELLIOTT STANLEY B 1979-09-04 US disclosed