SCHEMBL8901538

SCHEMBL8901538

COC1CCS(=O)(=O)c2c(Cl)cc(C(=O)O)c(C)c21

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 1/20 0.31
AKR1C1 Q04828 1/20 0.31

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
SCHEMBL8303413 0.90 HTT (0.31)
SCHEMBL8900556 0.87 ABCC1 (0.30)
SCHEMBL8307184 0.87 AKR1C2 (0.32) AKR1C2AKR1C1
SCHEMBL8307114 0.85 TAAR1 (0.41)
SCHEMBL8941036 0.77 RAB9A (0.33)
SCHEMBL8308293 0.75 RYR2 (0.33)
SCHEMBL9004023 0.74
SCHEMBL8304097 0.72
SCHEMBL8402382 0.71
SCHEMBL6725568 0.71 CYP4F2 (0.37) AKR1C2

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
EP-0810227-A1 ISOXAZOLE DERIVATIVES IDEMITSU KOSAN COMPANY LIMITED (JP) 1997-12-03 EP disclosed