SCHEMBL6887724

SCHEMBL6887724

CCOC(=O)c1cccc(-c2cccc(OCc3ccc(COC(=O)c4ccccc4)c(COC(=O)c4ccccc4)c3)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NR4A2 P43354 1/20 0.50
MAOB P27338 3/20 0.47
JAK2 O60674 1/20 0.47
JAK3 P52333 1/20 0.47
PTGER4 P35408 1/20 0.46
NR1H4 Q96RI1 1/20 0.45
SMPD1 P17405 1/20 0.45

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
SCHEMBL6883961 0.95 MRGPRX4 (0.55) MRGPRX4NPC1RAB9AALDH1A1MAPT
SCHEMBL6566359 0.90 MRGPRX4 (0.66) MRGPRX4NPC1RAB9ANR4A2MAOB
SCHEMBL6883959 0.89 NPC1 (0.46) MRGPRX4NPC1RAB9AALDH1A1MAPT
SCHEMBL6889059 0.87 FFAR1 (0.48) MRGPRX4NPC1RAB9AALDH1A1MAPT
SCHEMBL3911336 0.86 MRGPRX4 (0.62) MRGPRX4NPC1RAB9AALDH1A1MAPT
SCHEMBL6882555 0.86 MRGPRX4 (0.55) MRGPRX4NPC1RAB9AALDH1A1MAPT
SCHEMBL6566172 0.86 MRGPRX4 (0.63) MRGPRX4NPC1RAB9ASMN1; SMN2NR4A2
SCHEMBL6562981 0.86 MRGPRX4 (0.52) MRGPRX4NPC1RAB9ANR4A2MAOB
SCHEMBL6564903 0.85 MRGPRX4 (0.56) MRGPRX4NPC1RAB9ANR4A2MAOB
SCHEMBL6564604 0.85 MRGPRX4 (0.56) MRGPRX4NPC1RAB9ANR4A2MAOB

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 1 patent. 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