SCHEMBL9510143

SCHEMBL9510143

CCOCCOc1ccc(C#Cc2ccc(C)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.52
APP P05067 12/20 0.49
DRD2 P14416 2/20 0.44
DRD4 P21917 2/20 0.44
DRD3 P35462 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA7 P36544 1/20 0.44
CHRNA4 P43681 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
THRA P10827 1/20 0.43

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
SCHEMBL15250522 0.95 ACACB (0.49) ACACBAPPDRD2DRD4DRD3
SCHEMBL15250538 0.95 ACACB (0.49) ACACBAPPDRD2DRD4DRD3
SCHEMBL15250551 0.91 ACACB (0.46) ACACBAPPMEN1KMT2ACHRNB2
SCHEMBL15250552 0.91 ACACB (0.46) ACACBAPPMEN1KMT2ACHRNB2
SCHEMBL82225 0.91 DRD2 (0.52) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL15138934 0.89 DRD2 (0.50) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL20372704 0.89 DRD2 (0.50) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL20872263 0.89 DRD2 (0.50) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL9512229 0.88 APP (0.51) ACACBAPPDRD2DRD4DRD3
SCHEMBL15250576 0.86 MCHR1 (0.56) ACACBAPP

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