SCHEMBL9511362

SCHEMBL9511362

CC[C@H]1CC[C@H](CCc2ccc(C#Cc3ccc(OC)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
▸ AOC3 Q16853 1/20 0.41

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
SCHEMBL9509269 0.91 MAOB (0.53) MAOBACACBAPPAOC3
SCHEMBL9512242 0.89 MAOB (0.53) MAOBACACBAPP
SCHEMBL9509348 0.89 ACACB (0.51) MAOBACACB
SCHEMBL9509359 0.88 MAOB (0.50) MAOBACACBAPP
SCHEMBL10715756 0.87 MAOB (0.53) MAOB
SCHEMBL9511342 0.86 ACACB (0.53) ACACB
SCHEMBL9512380 0.86 ACACB (0.47) MAOBACACB
SCHEMBL10510635 0.85 ACACB (0.44) MAOBACACB
SCHEMBL8029195 0.85 MAOB (0.51) MAOBACACB
SCHEMBL8753712 0.85 MAOB (0.51) MAOBACACB

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