SCHEMBL32679274

SCHEMBL32679274

CCc1cc(N)cc(C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
RXRA P19793 2/20 0.50
RXRB P28702 2/20 0.50
TPMT P51580 1/20 0.45
KDM4E B2RXH2 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
DDO Q99489 1/20 0.42
BCL2 P10415 1/20 0.42
LOXL2 Q9Y4K0 2/20 0.42
DAO P14920 1/20 0.40
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
GFER P55789 1/20 0.39
PLEC Q15149 1/20 0.39
NPC1 O15118 2/20 0.38

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
SCHEMBL2725031 1.00 ALDH1A1 (0.50) ALDH1A1RXRARXRBTPMTKDM4E
SCHEMBL334347 0.85 RXRA (0.64) ALDH1A1RXRARXRBTPMTKDM4E
SCHEMBL1353367 0.85 ALDH1A1 (0.60) ALDH1A1RXRARXRBTPMTKDM4E
SCHEMBL28376268 0.85 TPMT (0.42) ALDH1A1RXRARXRBTPMTKDM4E
SCHEMBL31454166 0.83 ALDH1A1 (0.45) ALDH1A1TPMTKDM4EMEN1KMT2A
SCHEMBL1683777 0.83 ALDH1A1 (0.45) ALDH1A1TPMTKDM4EMEN1KMT2A
SCHEMBL2487771 0.82 RARB (0.51) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL7770944 0.82 KDM4E (0.44) ALDH1A1TPMTKDM4EMEN1KMT2A
SCHEMBL7589533 0.82 TPMT (0.46) ALDH1A1TPMTKDM4EMEN1KMT2A
Butane SCHEMBL6727426 0.81 TPMT (0.50) ALDH1A1TPMTKDM4EMEN1KMT2A

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-121574078-A Synthesis method of 3- (difluoromethyl sulfonyl) benzoic acid compound 天津楷特药业有限公司 2026-02-27 CN disclosed