SCHEMBL6155474

SCHEMBL6155474

CC(CCCCCC(C)(C)O)c1cccc(OCc2ccc(C(=O)O)c(C(=O)O)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 1/20 0.45
CYSLTR1 Q9Y271 1/20 0.45
FFAR1 O14842 4/20 0.42
NR4A1 P22736 1/20 0.40
NR4A2 P43354 1/20 0.40
NR4A3 Q92570 1/20 0.40
CHRM3 P20309 1/20 0.40
ALOX5 P09917 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38

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
SCHEMBL6881337 0.89 CYSLTR2 (0.42) CYSLTR2CYSLTR1FFAR1MRGPRX4
SCHEMBL6154639 0.87 CYSLTR2 (0.43) CYSLTR2CYSLTR1FFAR1NR4A1NR4A2
SCHEMBL6155248 0.83 CYSLTR2 (0.42) CYSLTR2CYSLTR1FFAR1ALOX5KMT2A
SCHEMBL6155242 0.82 VDR (0.44) CYSLTR2CYSLTR1FFAR1
SCHEMBL6155553 0.79 FFAR1 (0.43) FFAR1NR4A1NR4A2NR4A3ALOX5
SCHEMBL6155559 0.79 FFAR1 (0.43) FFAR1NR4A1NR4A2NR4A3ALOX5
SCHEMBL6155587 0.79 CYSLTR2 (0.44) CYSLTR2CYSLTR1FFAR1NR4A1NR4A2
SCHEMBL6155571 0.79 VDR (0.46) CYSLTR2CYSLTR1FFAR1ALOX5
SCHEMBL2109172 0.77 VDR (0.41) CYSLTR2CYSLTR1FFAR1
SCHEMBL6156514 0.77 FFAR1 (0.41) FFAR1NR4A1NR4A2NR4A3CHRM3

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