SCHEMBL29280960

SCHEMBL29280960

CC(C)(Cc1ccccc1C(=O)O)Cc1ccccc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.53
ALDH1A1 P00352 6/20 0.50
ALOX15 P16050 2/20 0.50
TSHR P16473 1/20 0.49
CLCN2 P51788 1/20 0.45
HIF1A Q16665 2/20 0.44
CYP2C9 P11712 1/20 0.44
HTT P42858 2/20 0.44
TP53 P04637 1/20 0.44
KDM4E B2RXH2 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
HMGB1 P09429 1/20 0.43
HPGD P15428 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA7 P43166 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL28434886 0.91 FOLH1 (0.49) FOLH1ALDH1A1ALOX15TSHRCLCN2
SCHEMBL9387739 0.89 FOLH1 (0.47) FOLH1ALDH1A1ALOX15TSHRCLCN2
SCHEMBL5048768 0.88 FOLH1 (0.53) FOLH1ALDH1A1ALOX15TSHRCLCN2
SCHEMBL14722553 0.87 FOLH1 (0.42) FOLH1ALDH1A1ALOX15TSHRHTT
SCHEMBL28432338 0.86 FOLH1 (0.45) FOLH1ALDH1A1ALOX15TSHRCLCN2
SCHEMBL28750589 0.85 FOLH1 (0.50) FOLH1ALDH1A1ALOX15TSHRCLCN2
SCHEMBL16618548 0.84 FOLH1 (0.43) FOLH1ALDH1A1ALOX15TSHRCLCN2
SCHEMBL9954558 0.83 FOLH1 (0.57) FOLH1ALDH1A1ALOX15TSHRCLCN2
SCHEMBL28359149 0.82 FOLH1 (0.47) FOLH1ALDH1A1ALOX15TSHRCLCN2
Benzoic Acid SCHEMBL11156159 0.82 TSHR (0.56) FOLH1ALDH1A1ALOX15TSHRCLCN2

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
CN-117836264-A Benzoic acid production from biomass 西恩斯科公司 2024-04-05 CN disclosed