SCHEMBL6881433

SCHEMBL6881433

CCC(O)(/C=C/CC(C)c1cccc(OCc2ccc(C(=O)OC)c(C(=O)OC)c2)c1)CC

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
PTGER3 P43115 1/20 0.38
PTPN1 P18031 1/20 0.38
VDR P11473 1/20 0.38
ADAMTS4 O75173 1/20 0.36

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
SCHEMBL6881435 1.00 FFAR1 (0.39) FFAR1MRGPRX4PTGER3PTPN1VDR
SCHEMBL6880164 0.91 FFAR1 (0.42) FFAR1MRGPRX4PTGER3PTPN1ADAMTS4
SCHEMBL6880160 0.91 FFAR1 (0.42) FFAR1MRGPRX4PTGER3PTPN1ADAMTS4
SCHEMBL6156514 0.89 FFAR1 (0.41) FFAR1MRGPRX4PTGER3VDR
SCHEMBL6156517 0.89 FFAR1 (0.41) FFAR1MRGPRX4PTGER3VDR
SCHEMBL6886666 0.82 CYSLTR2 (0.40) FFAR1MRGPRX4PTGER3
SCHEMBL2781453 0.81 VDR (0.40) FFAR1VDR
SCHEMBL2781452 0.81 VDR (0.58) FFAR1PTGER3VDR
SCHEMBL2781455 0.81 VDR (0.58) FFAR1PTGER3VDR
SCHEMBL6155559 0.80 FFAR1 (0.43) FFAR1MRGPRX4ADAMTS4

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
US-6689922-B1 BIAROMATIC COMPOUNDS WHICH ARE ANALOGUES OF VITAMIN D HAVE A MARKED ACTIVITY IN THE FIELDS OF CELL DIFFERENTIATION AND PROLIFERATION GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) 2004-02-10 US disclosed