SCHEMBL6889652

SCHEMBL6889652

COC(=O)c1cc(C)c(-c2cccc(OCc3ccc(COC(=O)c4ccccc4)c(COC(=O)c4ccccc4)c3)c2C)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.52
MAPT P10636 3/20 0.52
LMNA P02545 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MRGPRX4 Q96LA9 7/20 0.41
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 2/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 2/20 0.39
PPIA P62937 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL6566454 0.92 MRGPRX4 (0.47) RAB9AMAPTLMNAL3MBTL1MRGPRX4
SCHEMBL6886989 0.90 MAPT (0.53) RAB9AMAPTLMNAL3MBTL1MRGPRX4
SCHEMBL6889062 0.89 RAB9A (0.54) RAB9AMAPTLMNAL3MBTL1MRGPRX4
SCHEMBL6562731 0.84 MRGPRX4 (0.48) RAB9AMAPTLMNAL3MBTL1MRGPRX4
SCHEMBL6885435 0.84 MRGPRX4 (0.41) RAB9AMAPTLMNAMRGPRX4ALDH1A1
SCHEMBL6890556 0.82 NR1H2 (0.47) MRGPRX4SMN1; SMN2KMT2A
SCHEMBL6564136 0.82 RXRA (0.52) RAB9AMAPTLMNAL3MBTL1MRGPRX4
SCHEMBL6888101 0.77 MRGPRX4 (0.47) RAB9AMAPTLMNAL3MBTL1MRGPRX4
SCHEMBL6882624 0.76 SMN1; SMN2 (0.45) RAB9AMAPTLMNAL3MBTL1MRGPRX4
SCHEMBL6562842 0.76 MRGPRX4 (0.47) RAB9AMRGPRX4SMN1; 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