SCHEMBL9512242

SCHEMBL9512242

COc1ccc(C#Cc2ccc(CC[C@H]3CC[C@H](C)CC3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.53
▸ ACACB O00763 3/20 0.43
▸ APP P05067 2/20 0.42
▸ HRH3 Q9Y5N1 2/20 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
SCHEMBL13038168 0.91 MAOB (0.57) MAOBHRH3
SCHEMBL9511362 0.89 MAOB (0.53) MAOBACACBAPP
SCHEMBL9509269 0.89 MAOB (0.53) MAOBACACBAPP
SCHEMBL9511346 0.87 ACACB (0.48) MAOBACACB
SCHEMBL9909820 0.87 MAOB (0.53) MAOBHRH3
SCHEMBL13038176 0.87 MAOB (0.53) MAOBHRH3
SCHEMBL9509359 0.85 MAOB (0.50) MAOBACACBAPP
SCHEMBL9508808 0.85 ACACB (0.52) ACACBHRH3
SCHEMBL9508824 0.85 ACACB (0.46) ACACBHRH3
SCHEMBL16838790 0.84 MAOB (0.63) MAOBHRH3

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
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