SCHEMBL6156514

SCHEMBL6156514

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

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.41
VDR P11473 1/20 0.39
ALOX5 P09917 1/20 0.38
MRGPRX4 Q96LA9 2/20 0.38
NR4A1 P22736 1/20 0.38
NR4A2 P43354 1/20 0.38
NR4A3 Q92570 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTGER3 P43115 1/20 0.37
CHRM3 P20309 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
SCHEMBL6156517 1.00 FFAR1 (0.41) FFAR1VDRALOX5MRGPRX4NR4A1
SCHEMBL6155559 0.91 FFAR1 (0.43) FFAR1ALOX5MRGPRX4NR4A1NR4A2
SCHEMBL6155553 0.91 FFAR1 (0.43) FFAR1ALOX5MRGPRX4NR4A1NR4A2
SCHEMBL6881435 0.89 FFAR1 (0.39) FFAR1VDRMRGPRX4PTGER3
SCHEMBL6881433 0.89 FFAR1 (0.39) FFAR1VDRMRGPRX4PTGER3
SCHEMBL2781453 0.83 VDR (0.40) FFAR1VDRALOX5KMT2ASMN1; SMN2
SCHEMBL2781455 0.82 VDR (0.58) FFAR1VDRALOX5PTGER3
SCHEMBL2781452 0.82 VDR (0.58) FFAR1VDRALOX5PTGER3
SCHEMBL6154639 0.81 CYSLTR2 (0.43) FFAR1ALOX5MRGPRX4NR4A1NR4A2
SCHEMBL6880160 0.80 FFAR1 (0.42) FFAR1MRGPRX4PTGER3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1124779-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2005-02-02 EP disclosed
EP-1124779-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2001-08-22 EP disclosed
WO-2000026167-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2000-05-11 WO disclosed