SCHEMBL2431221

SCHEMBL2431221

CC(C)c1c(C#N)sc2cc(CO)ccc12

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.34
▸ APP P05067 2/20 0.32

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
SCHEMBL12896165 0.79 HSD17B10 (0.37) HSD17B10APP
SCHEMBL2429093 0.76 ACE2 (0.40) —
SCHEMBL2428391 0.73 NOTUM (0.33) HSD17B10
SCHEMBL2432377 0.71 DRD2 (0.31) —
SCHEMBL2430281 0.69 ESR1 (0.35) —
SCHEMBL17037102 0.69 LIMK1 (0.36) HSD17B10APP
SCHEMBL19155499 0.68 LIMK1 (0.42) HSD17B10APP
SCHEMBL13520159 0.67 LIMK1 (0.44) HSD17B10APP
SCHEMBL12732588 0.67 BCL2L1 (0.39) —
SCHEMBL19436248 0.65 FFAR1 (0.47) HSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011109679-A2 INHIBITORS OF 5-LIPOXYGENASE AMIRA PHARMACEUTICALS, INC. (US) 2011-09-09 — — WO disclosed
WO-2011109679-A2 INHIBITORS OF 5-LIPOXYGENASE AMIRA PHARMACEUTICALS, INC. (US) 2011-09-09 — — WO disclosed
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