SCHEMBL9076089

SCHEMBL9076089

Cc1ccc(C(=O)c2cccc(C(=O)O)c2)c(O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
USP2 O75604 1/20 0.51
GAA P10253 1/20 0.51
KEAP1 Q14145 1/20 0.51
NFE2L2 Q16236 1/20 0.51
LMNA P02545 2/20 0.49
HPGD P15428 2/20 0.49
HTT P42858 2/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 1/20 0.49
KCNH2 Q12809 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
PGR P06401 1/20 0.49
CYP2D6 P10635 1/20 0.49
SLC6A2 P23975 1/20 0.49

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
SCHEMBL29701295 0.86 MEN1 (0.68) POLBKMT2AMEN1USP2GAA
SCHEMBL1263258 0.86 MEN1 (0.68) POLBKMT2AMEN1USP2GAA
SCHEMBL19196874 0.83 MEN1 (0.74) POLBKMT2AMEN1USP2GAA
Sulfuric Acid SCHEMBL9392499 0.81 KMT2A (0.60) POLBKMT2AMEN1USP2GAA
SCHEMBL9077543 0.80 HPGD (0.78) KMT2AMEN1USP2GAAKEAP1
SCHEMBL25245771 0.80 LIG1 (0.56) POLBKMT2AMEN1USP2GAA
SCHEMBL11350747 0.79 NPC1 (0.64) KMT2AMEN1USP2GAAKEAP1
SCHEMBL9075991 0.79 XDH (0.49) POLBKMT2AMEN1USP2GAA
SCHEMBL5709932 0.79 KMT2A (0.67) POLBKMT2AMEN1USP2GAA
SCHEMBL30374826 0.79 KMT2A (0.67) POLBKMT2AMEN1USP2GAA

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-5504244-A 3-(4-N-PENTYLPHENYLACYL)BENZOIC ACID OR SALT OR ESTER BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1996-04-02 US disclosed