SCHEMBL9344143

SCHEMBL9344143

CCCC1CCC(C2(c3cccc(F)c3F)CC=C(O)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.33
HSD11B1 P28845 1/20 0.33
OPRL1 P41146 2/20 0.32
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 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
SCHEMBL8643261 0.73 HDAC4 (0.40) HDAC4HSD11B1OPRL1OPRM1OPRK1
SCHEMBL8643255 0.73 HDAC4 (0.40) HDAC4HSD11B1OPRL1OPRM1OPRK1
SCHEMBL731291 0.73 HDAC4 (0.40) HDAC4HSD11B1OPRL1OPRM1OPRK1
SCHEMBL1574708 0.73 PSEN1 (0.32) HDAC4OPRL1
SCHEMBL19171686 0.73 HDAC4 (0.39) HDAC4HSD11B1OPRL1OPRM1OPRK1
SCHEMBL1575464 0.70 OPRL1 (0.32) OPRL1
SCHEMBL1574962 0.70 GRM2 (0.33) HDAC4
SCHEMBL10601663 0.70 HDAC4 (0.38) HDAC4OPRL1OPRM1OPRK1
SCHEMBL9849441 0.67 OPRL1 (0.35) HDAC4OPRL1OPRM1OPRK1
SCHEMBL17577045 0.67 HDAC4 (0.37) HDAC4HSD11B1OPRL1OPRM1OPRK1

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-5342546-A Liquid crystal compositions L.C.C. CONSULTANTS CO., LTD. (JP) 1994-08-30 US disclosed