SCHEMBL6154639

SCHEMBL6154639

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 1/20 0.43
CYSLTR1 Q9Y271 1/20 0.43
FFAR1 O14842 3/20 0.41
ALOX5 P09917 1/20 0.39
NR4A1 P22736 1/20 0.39
NR4A2 P43354 1/20 0.39
NR4A3 Q92570 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
CHRM3 P20309 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
SCHEMBL6155146 0.89 NPC1 (0.47) FFAR1ALOX5KMT2ASMN1; SMN2MRGPRX4
SCHEMBL6886666 0.88 CYSLTR2 (0.40) CYSLTR2CYSLTR1FFAR1MRGPRX4
SCHEMBL6155474 0.87 CYSLTR2 (0.45) CYSLTR2CYSLTR1FFAR1ALOX5NR4A1
SCHEMBL5968372 0.82 PTGER3 (0.41) CYSLTR2CYSLTR1FFAR1ALOX5KMT2A
SCHEMBL2785504 0.82 CYSLTR2 (0.40) CYSLTR2CYSLTR1FFAR1ALOX5KMT2A
SCHEMBL2785501 0.82 VDR (0.49) CYSLTR2CYSLTR1FFAR1ALOX5
SCHEMBL6156514 0.81 FFAR1 (0.41) FFAR1ALOX5NR4A1NR4A2NR4A3
SCHEMBL6156517 0.81 FFAR1 (0.41) FFAR1ALOX5NR4A1NR4A2NR4A3
SCHEMBL6155616 0.81 ALOX5 (0.39) CYSLTR2CYSLTR1FFAR1ALOX5KMT2A
SCHEMBL6155609 0.80 VDR (0.48) CYSLTR2CYSLTR1FFAR1ALOX5

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 4 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
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
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