SCHEMBL6889062

SCHEMBL6889062

COC(=O)c1ccc(-c2cccc(OCc3ccc(COC(=O)c4ccccc4)c(COC(=O)c4ccccc4)c3)c2C)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.54
MAPT P10636 4/20 0.54
LMNA P02545 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 2/20 0.44
GAA P10253 1/20 0.44
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
MRGPRX4 Q96LA9 3/20 0.42
EGFR P00533 1/20 0.41
ATM Q13315 1/20 0.41
CD274 Q9NZQ7 4/20 0.40
PKM P14618 1/20 0.40
PDCD1 Q15116 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
SCHEMBL6564136 0.93 RXRA (0.52) RAB9AMAPTLMNAL3MBTL1NPC1
SCHEMBL6886989 0.90 MAPT (0.53) RAB9AMAPTLMNAL3MBTL1ALDH1A1
SCHEMBL6889652 0.89 RAB9A (0.52) RAB9AMAPTLMNAL3MBTL1ALDH1A1
SCHEMBL6562731 0.83 MRGPRX4 (0.48) RAB9AMAPTLMNAL3MBTL1NPC1
SCHEMBL6566454 0.82 MRGPRX4 (0.47) RAB9AMAPTLMNAL3MBTL1NPC1
SCHEMBL6882624 0.82 SMN1; SMN2 (0.45) RAB9AMAPTLMNAL3MBTL1ALDH1A1
SCHEMBL6882555 0.81 MRGPRX4 (0.55) RAB9AMAPTALDH1A1NPC1GAA
SCHEMBL6888101 0.78 MRGPRX4 (0.47) RAB9AMAPTLMNAL3MBTL1ALDH1A1
SCHEMBL6883847 0.77 MRGPRX4 (0.47) RAB9AMAPTLMNAL3MBTL1ALDH1A1
SCHEMBL6890556 0.76 NR1H2 (0.47) SMN1; SMN2MRGPRX4

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