SCHEMBL9511346

SCHEMBL9511346

CCOc1ccc(C#Cc2ccc(CC[C@H]3CC[C@H](C)CC3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 18/20 0.48
▸ MAOB P27338 1/20 0.40

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
SCHEMBL9509348 0.90 ACACB (0.51) ACACBMAOB
SCHEMBL9512430 0.90 ACACB (0.49) ACACBMAOB
SCHEMBL9508808 0.89 ACACB (0.52) ACACB
SCHEMBL9508824 0.89 ACACB (0.46) ACACB
SCHEMBL17225187 0.89 NQO1 (0.41) ACACBMAOB
SCHEMBL9512242 0.87 MAOB (0.53) ACACBMAOB
SCHEMBL9512341 0.87 ACACB (0.45) ACACB
SCHEMBL9509311 0.86 ACACB (0.46) ACACB
SCHEMBL10511210 0.86 ACACB (0.43) ACACBMAOB
SCHEMBL6141752 0.84 ACACB (0.45) ACACBMAOB

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
Send feedback