SCHEMBL6871600

SCHEMBL6871600

CCCc1ccc([C@H](CO)NC=O)c(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ PPARG P37231 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ ALOX5 P09917 2/20 0.37
▸ OR51E2 Q9H255 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ GPR88 Q9GZN0 1/20 0.37
▸ GABRA1 P14867 1/20 0.36
▸ GABRB2 P47870 1/20 0.36

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
SCHEMBL6873511 0.76 GPR88 (0.57) RAB9AMAPK1HTTGPR88
SCHEMBL12929971 0.73 ATM (0.44) SMN1; SMN2NPC1RAB9AMAPK1ALDH1A1
SCHEMBL12961032 0.70 ATM (0.42) SMN1; SMN2NPC1RAB9AMAPK1ALDH1A1
SCHEMBL465084 0.68 ALDH1A1 (0.56) SMN1; SMN2NPC1RAB9AMAPK1MEN1
SCHEMBL2563160 0.68 NPC1 (0.55) SMN1; SMN2NPC1RAB9AMAPK1MEN1
SCHEMBL2818747 0.67 ATM (0.50) SMN1; SMN2NPC1RAB9AMAPK1MEN1
SCHEMBL427541 0.67 ATM (0.68) SMN1; SMN2ALDH1A1POLBPPARGPPARA
SCHEMBL465047 0.67 GABRA1 (0.49) SMN1; SMN2NPC1RAB9AMAPK1ALDH1A1
SCHEMBL465065 0.66 PPARG (0.58) SMN1; SMN2NPC1RAB9AMAPK1MEN1
SCHEMBL17527230 0.66 ALOX5 (0.48) SMN1; SMN2NPC1RAB9AMAPK1ALDH1A1

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
WO-2011044195-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-14 — — WO disclosed
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