SCHEMBL31318522

SCHEMBL31318522

COc1c(Cl)cc(C(=O)O)cc1Br

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 4/20 0.67
HSD17B10 Q99714 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 2/20 0.49
GAA P10253 1/20 0.49
HTT P42858 3/20 0.47
TSHR P16473 1/20 0.47
APOBEC3A P31941 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
PLAU P00749 1/20 0.47
TTR P02766 2/20 0.47
HPGD P15428 2/20 0.45
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 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
SCHEMBL21837048 1.00 TPMT (0.67) TPMTHSD17B10KMT2AALDH1A1KDM4E
SCHEMBL1191343 0.87 TPMT (0.79) TPMTHSD17B10KMT2AALDH1A1KDM4E
SCHEMBL3546802 0.87 TPMT (0.79) TPMTHSD17B10KMT2AALDH1A1HTT
SCHEMBL31573601 0.84 ALDH1A1 (0.51) TPMTALDH1A1KDM4EGAAHTT
SCHEMBL21836913 0.84 ALDH1A1 (0.51) TPMTALDH1A1KDM4EGAAHTT
SCHEMBL1204414 0.80 HTT (0.72) TPMTHSD17B10KMT2AALDH1A1HTT
SCHEMBL21880315 0.80 TPMT (0.69) TPMTHSD17B10KMT2AALDH1A1KDM4E
SCHEMBL30740894 0.80 HTT (0.72) TPMTHSD17B10KMT2AALDH1A1HTT
SCHEMBL985914 0.80 TPMT (0.69) TPMTALDH1A1KDM4EGAAHTT
SCHEMBL4831712 0.79 ALDH1A1 (0.58) TPMTHSD17B10KMT2AALDH1A1KDM4E

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-119059989-A URAT1 inhibitor, preparation method and application thereof 中国药科大学 2024-12-03 CN disclosed