SCHEMBL9454380

SCHEMBL9454380

CCCCC#C/C=C/CN(C)Cc1cccc(OCc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BCHE P06276 8/20 0.50
SQLE Q14534 7/20 0.44
MAOB P27338 1/20 0.40
PTGES O14684 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
SCHEMBL9454023 1.00 BCHE (0.50) BCHESQLEMAOBPTGES
SCHEMBL9454028 1.00 BCHE (0.50) BCHESQLEMAOBPTGES
SCHEMBL9454052 0.85 BCHE (0.49) BCHESQLEMAOBPTGES
SCHEMBL9454710 0.85 BCHE (0.49) BCHESQLEMAOBPTGES
SCHEMBL9454048 0.85 BCHE (0.49) BCHESQLEMAOBPTGES
Hydrochloric Acid SCHEMBL9454686 0.81 SQLE (0.60) SQLE
Hydrochloric Acid SCHEMBL9454627 0.81 SQLE (0.60) SQLE
Hydrochloric Acid SCHEMBL9454619 0.81 SQLE (0.60) SQLE
SCHEMBL9455089 0.79 SQLE (0.51) BCHESQLE
SCHEMBL9455095 0.79 SQLE (0.51) BCHESQLE

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5234946-A Anticholesterol, antilipemic BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-10 US disclosed
EP-0318860-B1 SUBSTITUTED ALKYLAMINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-06-16 EP disclosed
EP-0318860-A2 Substituted alkylamine derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-06-07 EP disclosed