SCHEMBL6682019

SCHEMBL6682019

C=CCP(CC=C)C1=C2C=CC=CC2C=Cc2ccccc21

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.30

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
SCHEMBL6682147 0.75 CYP3A4 (0.31)
SCHEMBL5848486 0.72
SCHEMBL17923692 0.72 ALDH1A1 (0.32)
SCHEMBL9205277 0.72
SCHEMBL5045911 0.69
SCHEMBL11176419 0.64
SCHEMBL5850276 0.64
SCHEMBL6684629 0.61
SCHEMBL11178182 0.60
SCHEMBL3262485 0.59 CASP3 (0.36) CASP3

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-1475384-A1 Process for preparing phosphorus compounds Bayer Chemicals AG (DE) 2004-11-10 EP disclosed