SCHEMBL6883847

SCHEMBL6883847

COC(=O)c1ccc(-c2cccc(OCc3ccc(COC(=O)c4ccccc4)c(COC(=O)c4ccccc4)c3)c2)cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.47
SMPD1 P17405 1/20 0.45
NR4A2 P43354 1/20 0.45
NR1H2 P55055 1/20 0.45
MAOB P27338 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PTGER4 P35408 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 1/20 0.41
FFAR1 O14842 1/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
THRB P10828 1/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
JAK2 O60674 1/20 0.40

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
SCHEMBL6562981 0.92 MRGPRX4 (0.52) MRGPRX4SMPD1NR4A2MAOBPTGER4
SCHEMBL6882555 0.91 MRGPRX4 (0.55) MRGPRX4SMPD1NR4A2NR1H2MAOB
SCHEMBL6883961 0.87 MRGPRX4 (0.55) MRGPRX4SMPD1NR4A2MAOBSMN1; SMN2
SCHEMBL6888101 0.86 MRGPRX4 (0.47) MRGPRX4SMPD1NR4A2NR1H2MAOB
SCHEMBL6890556 0.86 NR1H2 (0.47) MRGPRX4SMPD1NR4A2NR1H2MAOB
SCHEMBL6566172 0.85 MRGPRX4 (0.63) MRGPRX4SMPD1NR4A2SMN1; SMN2PTGER4
SCHEMBL6887724 0.84 MRGPRX4 (0.53) MRGPRX4SMPD1NR4A2MAOBSMN1; SMN2
SCHEMBL6566359 0.83 MRGPRX4 (0.66) MRGPRX4SMPD1NR4A2MAOBNR1H4
SCHEMBL6564604 0.82 MRGPRX4 (0.56) MRGPRX4SMPD1NR4A2NR1H2MAOB
SCHEMBL6564818 0.82 MRGPRX4 (0.54) MRGPRX4NR4A2NR1H4FFAR1

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