SCHEMBL4734008

SCHEMBL4734008

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC(Cc1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.58
CPA1 P15085 7/20 0.51
CPA3 P15088 3/20 0.51
FOLH1 Q04609 2/20 0.51
CPB1 P15086 1/20 0.51
CPB2 Q96IY4 1/20 0.51
MME P08473 3/20 0.49
GRIK1 P39086 2/20 0.47
GRIK2 Q13002 2/20 0.47
SLC1A3 P43003 1/20 0.47
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47
EPHX2 P34913 1/20 0.45

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
SCHEMBL442519 0.85 EPHX2 (0.49) CYP1A2CPA1CPA3EPHX2
SCHEMBL9105287 0.85 KDM4E (0.48) CYP1A2GRIK1GRIK2
SCHEMBL9105279 0.85 KDM4E (0.48) CYP1A2GRIK1GRIK2
SCHEMBL3219589 0.85 CYP1A2 (0.54) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL6790355 0.84 CYP1A2 (0.61) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL27377152 0.80 CYP1A2 (0.70) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL6791072 0.79 CYP1A2 (0.59) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL12099047 0.78 GRIK1 (0.58) GRIK1GRIK2SLC1A3SLC1A2SLC1A1
SCHEMBL2229237 0.78 GRIK1 (0.58) GRIK1GRIK2SLC1A3SLC1A2SLC1A1
SCHEMBL2754220 0.78 GRIK1 (0.58) GRIK1GRIK2SLC1A3SLC1A2SLC1A1

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
WO-2008053340-A1 A COMBINATION PRODUCT COMPRISING AT LEAST ONE LIPID SUBSTITUTED IN THE ALPHA POSITION AND AT LEAST ONE HYPOGLYCEMIC AGENT PRONOVA BIOPHARMA NORGE AS (NO) 2008-05-08 WO disclosed