SCHEMBL22867228

SCHEMBL22867228

CCCc1sc2cc(C)ccc2c1NC(=O)c1ccc(C(F)(F)F)[nH]c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HSD17B2 P37059 19/20 1.00
▸ HSD17B1 P14061 9/20 1.00

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
SCHEMBL29582435 1.00 HSD17B2 (1.00) HSD17B2HSD17B1
SCHEMBL22867215 0.92 HSD17B2 (1.00) HSD17B2HSD17B1
SCHEMBL22868116 0.87 HSD17B2 (0.77) HSD17B2HSD17B1
SCHEMBL22868119 0.79 HSD17B2 (0.76) HSD17B2HSD17B1
SCHEMBL22867218 0.79 HSD17B2 (0.67) HSD17B2HSD17B1
SCHEMBL22867243 0.74 HSD17B2 (0.60) HSD17B2HSD17B1
SCHEMBL30359614 0.74 HSD17B2 (0.60) HSD17B2HSD17B1
SCHEMBL22867326 0.73 HSD17B2 (0.58) HSD17B2HSD17B1
SCHEMBL22867674 0.73 HSD17B2 (0.58) HSD17B2HSD17B1
SCHEMBL30359654 0.73 HSD17B2 (0.58) HSD17B2HSD17B1

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
WO-2021003295-A1 MODULATORS OF HSD17B13 AND METHODS OF USE THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2021-01-07 — — WO disclosed
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