SCHEMBL9509359

SCHEMBL9509359

CCCCC[C@H]1CC[C@H](CCc2ccc(C#Cc3ccc(OC)cc3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.50
▸ ACACB O00763 5/20 0.41
▸ APP P05067 2/20 0.40
▸ CASR P41180 1/20 0.39

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
SCHEMBL9512964 0.92 MAOB (0.53) MAOB
SCHEMBL9512978 0.92 MAOB (0.53) MAOB
SCHEMBL9511288 0.91 ACACB (0.47) ACACB
SCHEMBL9509269 0.91 MAOB (0.53) MAOBACACBAPP
SCHEMBL11059571 0.90 MAOB (0.52) MAOB
SCHEMBL10480082 0.90 MAOB (0.52) MAOB
SCHEMBL10480078 0.90 MAOB (0.52) MAOB
SCHEMBL11059564 0.90 MAOB (0.52) MAOB
SCHEMBL10510724 0.90 ACACB (0.44) MAOBACACB
SCHEMBL9509311 0.90 ACACB (0.46) 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
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