SCHEMBL6562444

SCHEMBL6562444

COC(=O)C1=C(C)/C(=C/C(=O)O)CCC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.32

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
SCHEMBL6561160 0.84 CYP1A2 (0.35) CYP1A2
SCHEMBL6561154 0.84 CYP1A2 (0.35) CYP1A2
SCHEMBL6562453 0.76 TRPA1 (0.38)
SCHEMBL6563392 0.68
SCHEMBL7171679 0.67 CYP1A2 (0.44) CYP1A2
SCHEMBL22077241 0.67 SLC6A3 (0.34)
SCHEMBL12160497 0.67 CYP1A2 (0.44) CYP1A2
SCHEMBL11812280 0.65 ALDH1A1 (0.40)
SCHEMBL19476039 0.62 SMN1; SMN2 (0.35) CYP1A2
SCHEMBL19463063 0.62 SMN1; SMN2 (0.35) CYP1A2

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-1144365-B1 INHIBITORS OF ALPHA-4 BETA-1 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2004-03-17 EP disclosed