SCHEMBL6886989

SCHEMBL6886989

COC(=O)c1ccc(-c2cccc(OCc3ccc(COC(=O)c4ccccc4)c(COC(=O)c4ccccc4)c3)c2C)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
RAB9A P51151 4/20 0.53
LMNA P02545 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
MRGPRX4 Q96LA9 5/20 0.40
PPIA P62937 2/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
PTGER1 P34995 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
SCHEMBL6562731 0.93 MRGPRX4 (0.48) MAPTRAB9ALMNAL3MBTL1SMN1; SMN2
SCHEMBL6889652 0.90 RAB9A (0.52) MAPTRAB9ALMNAL3MBTL1ALDH1A1
SCHEMBL6889062 0.90 RAB9A (0.54) MAPTRAB9ALMNAL3MBTL1ALDH1A1
SCHEMBL6886884 0.84 MRGPRX4 (0.43) MAPTRAB9ALMNAL3MBTL1ALDH1A1
SCHEMBL6566454 0.84 MRGPRX4 (0.47) MAPTRAB9ALMNAL3MBTL1SMN1; SMN2
SCHEMBL6888101 0.83 MRGPRX4 (0.47) MAPTRAB9ALMNAL3MBTL1ALDH1A1
SCHEMBL6882624 0.83 SMN1; SMN2 (0.45) MAPTRAB9ALMNAL3MBTL1ALDH1A1
SCHEMBL6564136 0.83 RXRA (0.52) MAPTRAB9ALMNAL3MBTL1KDM4E
SCHEMBL6566321 0.76 MRGPRX4 (0.48) RAB9AL3MBTL1ALDH1A1SMN1; SMN2MRGPRX4
SCHEMBL6885435 0.76 MRGPRX4 (0.41) MAPTRAB9ALMNAALDH1A1KDM4E

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