SCHEMBL21456031

SCHEMBL21456031

CC/C=C(/F)OC(C)Oc1cc(OC)ccc1CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.46
▸ KDM4E B2RXH2 3/20 0.39
▸ AKR1C3 P42330 2/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ AKR1C2 P52895 1/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ LCK P06239 1/20 0.37
▸ POLB P06746 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL21455754 0.75 HSD17B10 (0.54) HSD17B10KDM4EAKR1C3PTGS1AKR1C2
SCHEMBL30831943 0.73 HSD17B10 (0.75) HSD17B10KDM4EAKR1C3PTGS1AKR1C2
SCHEMBL1097902 0.73 HSD17B10 (0.75) HSD17B10KDM4EAKR1C3PTGS1AKR1C2
Hydrochloric Acid SCHEMBL2527027 0.72 HSD17B10 (0.73) HSD17B10KDM4EAKR1C3PTGS1AKR1C2
SCHEMBL24200136 0.71 HSD17B10 (0.49) HSD17B10KDM4EAKR1C3PTGS1AKR1C2
SCHEMBL23229043 0.71 HSD17B10 (0.62) HSD17B10KDM4EAKR1C3PTGS1AKR1C2
SCHEMBL23617368 0.70 HSD17B10 (0.48) HSD17B10KDM4EAKR1C3PTGS1AKR1C2
SCHEMBL23229241 0.69 HSD17B10 (0.59) HSD17B10KDM4EAKR1C3PTGS1AKR1C2
SCHEMBL24200303 0.69 AKR1C3 (0.44) HSD17B10KDM4EAKR1C3AKR1C2ALDH1A1
SCHEMBL15935612 0.68 HSD17B10 (0.70) HSD17B10KDM4EAKR1C3PTGS1AKR1C2

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-2019195720-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2019-10-10 — — WO disclosed
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