SCHEMBL6886884

SCHEMBL6886884

COC(=O)c1ccc(-c2cc(OCc3ccc(COC(=O)c4ccccc4)c(COC(=O)c4ccccc4)c3)ccc2C)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.43
MAPT P10636 9/20 0.42
RAB9A P51151 7/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 3/20 0.41
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL6566321 0.92 MRGPRX4 (0.48) MRGPRX4RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL6882624 0.90 SMN1; SMN2 (0.45) MRGPRX4MAPTRAB9ASMN1; SMN2KMT2A
SCHEMBL6885435 0.90 MRGPRX4 (0.41) MRGPRX4MAPTRAB9ASMN1; SMN2KMT2A
SCHEMBL6888101 0.88 MRGPRX4 (0.47) MRGPRX4MAPTRAB9ASMN1; SMN2KMT2A
SCHEMBL6886989 0.84 MAPT (0.53) MRGPRX4MAPTRAB9ASMN1; SMN2KMT2A
SCHEMBL6565076 0.83 MRGPRX4 (0.47) MRGPRX4RAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL6562842 0.83 MRGPRX4 (0.47) MRGPRX4RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL6888088 0.83 PPARG (0.46) MRGPRX4MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL6562778 0.82 NR1H4 (0.48) MRGPRX4RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL2851878 0.81 RAB9A (0.44) MRGPRX4MAPTRAB9ASMN1; SMN2KMT2A

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