SCHEMBL28759404

SCHEMBL28759404

CC(=O)OC1(C(F)(F)F)CC(S(=O)(=O)Cl)Oc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
HSD17B10 Q99714 1/20 0.37
AKR1B1 P15121 2/20 0.34

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
SCHEMBL28759367 0.73 CHRM2 (0.35)
SCHEMBL21957671 0.65 CHRM2 (0.49) POLBHSD17B10
SCHEMBL3934882 0.61 AKR1B1 (0.43) POLBHSD17B10AKR1B1
SCHEMBL30775719 0.60 AKR1B1 (0.39) POLBHSD17B10AKR1B1
SCHEMBL25279034 0.58 CA2 (0.46)
SCHEMBL30084102 0.58 HPGD (0.40) HSD17B10
SCHEMBL5981402 0.58 HPGD (0.40) HSD17B10
SCHEMBL30464074 0.58 CA2 (0.46)
SCHEMBL20872788 0.58 CHRM2 (0.51)
SCHEMBL26733431 0.57 AKR1B1 (0.40) AKR1B1

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-109563057-B Sulfonamide compound or salt thereof 大鹏药品工业株式会社 2022-06-24 CN disclosed