SCHEMBL21048299

SCHEMBL21048299

CCOC(=O)[C@@]1(CC)CC1C(F)F

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
ADAM17 P78536 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
ALDH1A1 P00352 2/20 0.31
LMNA P02545 2/20 0.31
ATM Q13315 1/20 0.31
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL19557125 1.00 POLB (0.33) POLBADAM17OPRM1OPRD1OPRK1
SCHEMBL21048295 1.00 POLB (0.33) POLBADAM17OPRM1OPRD1OPRK1
SCHEMBL19557122 1.00 POLB (0.33) POLBADAM17OPRM1OPRD1OPRK1
SCHEMBL19557146 1.00 POLB (0.33) POLBADAM17OPRM1OPRD1OPRK1
SCHEMBL19911653 1.00 POLB (0.33) POLBADAM17OPRM1OPRD1OPRK1
SCHEMBL20107360 0.88 POLB (0.32) POLBADAM17OPRM1OPRD1OPRK1
SCHEMBL24867781 0.80
SCHEMBL19558558 0.79 POLB (0.34) POLBOPRM1OPRD1OPRK1ALDH1A1
SCHEMBL18358208 0.79 POLB (0.34) POLBOPRM1OPRD1OPRK1ALDH1A1
SCHEMBL18358211 0.79 POLB (0.34) POLBOPRM1OPRD1OPRK1ALDH1A1

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
US-10316338-B1 Enzymatic process for the preparation of (1S,2R)-2-(difluoromethyl)-1-(propoxycarbonyl)cyclopropanecarboxylic acid ABB VIE INC. (US) 2019-06-11 US disclosed