SCHEMBL6566172

SCHEMBL6566172

O=C(O)c1ccc(-c2cccc(OCc3ccc(COC(=O)c4ccccc4)c(COC(=O)c4ccccc4)c3)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.63
NR4A2 P43354 4/20 0.60
RXRA P19793 2/20 0.53
RXRB P28702 2/20 0.53
SRD5A2 P31213 1/20 0.51
SMPD1 P17405 1/20 0.51
PTGES O14684 1/20 0.49
ALOX5 P09917 1/20 0.49
LTC4S Q16873 1/20 0.49
RXRG P48443 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NR1H4 Q96RI1 2/20 0.48
BCL2 P10415 1/20 0.47
MAP4K4 O95819 1/20 0.47
PTGER4 P35408 1/20 0.47

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
SCHEMBL6566359 0.93 MRGPRX4 (0.66) MRGPRX4NR4A2SRD5A2SMPD1NPC1
SCHEMBL6883961 0.92 MRGPRX4 (0.55) MRGPRX4NR4A2RXRARXRBSMPD1
SCHEMBL6882555 0.92 MRGPRX4 (0.55) MRGPRX4NR4A2RXRARXRBSMPD1
SCHEMBL6564604 0.90 MRGPRX4 (0.56) MRGPRX4NR4A2RXRASMPD1NPC1
SCHEMBL6562981 0.89 MRGPRX4 (0.52) MRGPRX4NR4A2RXRARXRBSRD5A2
SCHEMBL6565127 0.87 MRGPRX4 (0.52) MRGPRX4NR4A2RXRARXRBSRD5A2
SCHEMBL6564903 0.86 MRGPRX4 (0.56) MRGPRX4NR4A2RXRASMPD1NPC1
SCHEMBL6887724 0.86 MRGPRX4 (0.53) MRGPRX4NR4A2SMPD1NPC1RAB9A
SCHEMBL6564818 0.86 MRGPRX4 (0.54) MRGPRX4NR4A2NR1H4
SCHEMBL6563998 0.85 MRGPRX4 (0.53) MRGPRX4NR4A2PTGER4

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