SCHEMBL11235202

SCHEMBL11235202

C=CC=Cc1ccccc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
ALOX15 P16050 1/20 0.48
GRIK1 P39086 1/20 0.44
GRIA1 P42261 1/20 0.44
GRIA2 P42262 1/20 0.44
GRIA3 P42263 1/20 0.44
GRIA4 P48058 1/20 0.44
GRIK2 Q13002 1/20 0.44
GRIK3 Q13003 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
KDM4E B2RXH2 4/20 0.42
HPGD P15428 3/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA12 O43570 1/20 0.42
HMGB1 P09429 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA7 P43166 1/20 0.42

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
Phthalic Acid SCHEMBL28617985 0.84 ALDH1A1 (0.45) ALDH1A1ALOX15CYP1A2CYP2C9KDM4E
SCHEMBL11227663 0.84 ALDH1A1 (0.39) ALDH1A1ALOX15CYP1A2CYP2C9KDM4E
SCHEMBL70201 0.83 ALDH1A1 (0.62) ALDH1A1ALOX15GRIK1GRIA1GRIA2
SCHEMBL8902281 0.83 ALDH1A1 (0.62) ALDH1A1ALOX15GRIK1GRIA1GRIA2
SCHEMBL70202 0.83 ALDH1A1 (0.62) ALDH1A1ALOX15GRIK1GRIA1GRIA2
SCHEMBL10473616 0.82 CDK4 (0.57) ALDH1A1ALOX15GRIK1GRIA1GRIA2
SCHEMBL4261638 0.82 CDK4 (0.57) ALDH1A1ALOX15GRIK1GRIA1GRIA2
SCHEMBL31233014 0.82 CDK4 (0.57) ALDH1A1ALOX15GRIK1GRIA1GRIA2
SCHEMBL1503700 0.80 ALDH1A1 (0.52) ALDH1A1ALOX15GRIK1GRIA1GRIA2
Butadiene SCHEMBL11263308 0.80 ALDH1A1 (0.52) ALDH1A1ALOX15GRIK1GRIA1GRIA2

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-4356298-A FROM ACID CHLORIDE OF 1,4-BIS-P-CARBOXYPHENYL-1,3-BUTADIENE, ISOPHTHALOYL CHLORIDE, 4,4-DIPHENOXYDIPHENYL SULFONE, DIPHENYL ETHER THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1982-10-26 US disclosed