SCHEMBL6564903

SCHEMBL6564903

O=C(O)Cc1cccc(-c2cccc(OCc3ccc(COC(=O)c4ccccc4)c(COC(=O)c4ccccc4)c3)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.56
NR4A2 P43354 2/20 0.56
CFD P00746 2/20 0.55
FFAR1 O14842 6/20 0.48
FFAR4 Q5NUL3 2/20 0.48
AKR1B1 P15121 1/20 0.48
MAOB P27338 1/20 0.47
PLG P00747 1/20 0.46
PLAU P00749 1/20 0.46
F11 P03951 1/20 0.46
KLKB1 P03952 1/20 0.46
F7 P08709 1/20 0.46
TPSB2 P20231 1/20 0.46
NR1H4 Q96RI1 1/20 0.45
SMPD1 P17405 1/20 0.45
F2 P00734 1/20 0.45
RXRA P19793 1/20 0.44
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
ENPP2 Q13822 1/20 0.44

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
SCHEMBL6564604 0.94 MRGPRX4 (0.56) MRGPRX4NR4A2CFDFFAR1FFAR4
SCHEMBL6566359 0.88 MRGPRX4 (0.66) MRGPRX4NR4A2MAOBNR1H4SMPD1
SCHEMBL6566172 0.86 MRGPRX4 (0.63) MRGPRX4NR4A2NR1H4SMPD1RXRA
SCHEMBL6887724 0.85 MRGPRX4 (0.53) MRGPRX4NR4A2MAOBNR1H4SMPD1
SCHEMBL6883961 0.84 MRGPRX4 (0.55) MRGPRX4NR4A2MAOBSMPD1RXRA
SCHEMBL6882555 0.84 MRGPRX4 (0.55) MRGPRX4NR4A2FFAR1MAOBNR1H4
SCHEMBL6562981 0.82 MRGPRX4 (0.52) MRGPRX4NR4A2MAOBNR1H4SMPD1
SCHEMBL3908596 0.81 CFD (0.66) MRGPRX4NR4A2CFDFFAR1FFAR4
SCHEMBL6563998 0.81 MRGPRX4 (0.53) MRGPRX4NR4A2FFAR1FFAR4MAOB
SCHEMBL6883847 0.80 MRGPRX4 (0.47) MRGPRX4NR4A2FFAR1MAOBNR1H4

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
US-6831106-B1 Selective activity on cell proliferation and differentiation without displaying any hypercalcaemiant nature GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-12-14 US disclosed
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