SCHEMBL5656923

SCHEMBL5656923

C=CC(N)c1cccc(-c2cccc(C(N)C=C)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
PTGS2 P35354 2/20 0.33
MAOA P21397 1/20 0.32
DPP4 P27487 2/20 0.32
F2 P00734 1/20 0.32
CYP3A4 P08684 1/20 0.31
BRD4 O60885 1/20 0.30
BRD2 P25440 1/20 0.30
CREBBP Q92793 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
SCHEMBL9256933 0.89 DPP4 (0.36) DPP4F2
SCHEMBL9301145 0.81 CYP3A4 (0.44) MAOACYP3A4
SCHEMBL1419520 0.79 IDO1 (0.44) MAOACYP3A4
SCHEMBL16085848 0.79 TP53 (0.45)
SCHEMBL10723269 0.79 ADRB1 (0.52) CYP3A4
SCHEMBL15771582 0.79 OPRM1 (0.41)
SCHEMBL7595298 0.79 IDO1 (0.44) MAOACYP3A4
SCHEMBL38740 0.77 DPP4 (0.50) DPP4F2
SCHEMBL1534125 0.77 DPP4 (0.50) DPP4F2
SCHEMBL1683556 0.77 DPP4 (0.50) DPP4F2

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
JP-2007210952-A METHOD FOR PRODUCING 3-ALKYL-4,4'-BIPHENOL AND METHOD FOR PRODUCING MIXTURE OF 3-ALKYL-4,4'-BIPHENOL AND 3,3'-DIALKYL-4,4'-BIPHENOL HONSHU CHEM IND CO LTD 2007-08-23 JP disclosed