SCHEMBL9510145

SCHEMBL9510145

CCOc1ccc(C#Cc2ccc(CC)c(F)c2F)cc1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.42
ACACB O00763 19/20 0.42

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
SCHEMBL9512263 0.88 ACACB (0.42) ACACB
SCHEMBL9510025 0.88 ACACB (0.44) ACACB
SCHEMBL9508844 0.88 ACACB (0.40) NQO1ACACB
SCHEMBL9509471 0.88 APP (0.45) ACACB
SCHEMBL10302768 0.88 FFAR4 (0.41) ACACB
SCHEMBL10511640 0.87 MAPT (0.37) ACACB
SCHEMBL9510163 0.86 NR5A1 (0.42) ACACB
SCHEMBL9512376 0.86 ACACB (0.39) NQO1ACACB
SCHEMBL9508900 0.85 MAPT (0.41) NQO1ACACB
SCHEMBL7857701 0.83 FFAR1 (0.41) ACACB

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
EP-0308438-B1 LIQUID CRYSTAL PHASE CONTAINING TOLANES MERCK PATENT GmbH (DE) 1993-09-29 EP disclosed