SCHEMBL6562981

SCHEMBL6562981

Cc1cc(-c2cccc(OCc3ccc(COC(=O)c4ccccc4)c(COC(=O)c4ccccc4)c3)c2)ccc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.52
NR4A2 P43354 2/20 0.49
PTGER4 P35408 1/20 0.45
DHODH Q02127 3/20 0.44
SMPD1 P17405 1/20 0.44
MAOB P27338 3/20 0.44
RXRA P19793 2/20 0.43
RXRB P28702 1/20 0.43
NR1H4 Q96RI1 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MCL1 Q07820 1/20 0.42
SRD5A2 P31213 1/20 0.42

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
SCHEMBL6883847 0.92 MRGPRX4 (0.47) MRGPRX4NR4A2PTGER4SMPD1MAOB
SCHEMBL6883961 0.89 MRGPRX4 (0.55) MRGPRX4NR4A2PTGER4SMPD1MAOB
SCHEMBL6566172 0.89 MRGPRX4 (0.63) MRGPRX4NR4A2PTGER4SMPD1RXRA
SCHEMBL6882555 0.87 MRGPRX4 (0.55) MRGPRX4NR4A2PTGER4SMPD1MAOB
SCHEMBL6566359 0.87 MRGPRX4 (0.66) MRGPRX4NR4A2SMPD1MAOBNR1H4
SCHEMBL6887724 0.86 MRGPRX4 (0.53) MRGPRX4NR4A2PTGER4SMPD1MAOB
SCHEMBL6564818 0.85 MRGPRX4 (0.54) MRGPRX4NR4A2NR1H4
SCHEMBL6563998 0.85 MRGPRX4 (0.53) MRGPRX4NR4A2PTGER4MAOB
SCHEMBL6564604 0.84 MRGPRX4 (0.56) MRGPRX4NR4A2PTGER4SMPD1MAOB
SCHEMBL6888101 0.82 MRGPRX4 (0.47) MRGPRX4NR4A2SMPD1MAOBNR1H4

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-1235777-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2004-06-16 EP disclosed
EP-1235777-A2 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2002-09-04 EP disclosed
WO-2001038303-A2 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2001-05-31 WO disclosed