SCHEMBL11758452

SCHEMBL11758452

CCOc1ccc(NC(=O)c2cc(C(C)(C)CC)ccc2O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 9/20 0.62
▸ RAB9A P51151 7/20 0.62
▸ KMT2A Q03164 6/20 0.62
▸ MEN1 O00255 5/20 0.62
▸ TP53 P04637 4/20 0.62
▸ SMN1; SMN2 Q16637 3/20 0.62
▸ KDM4E B2RXH2 2/20 0.62
▸ HTT P42858 2/20 0.62
▸ LMNA P02545 1/20 0.62
▸ MAPT P10636 3/20 0.61
▸ POLB P06746 2/20 0.61
▸ MAPK1 P28482 2/20 0.61
▸ APOBEC3A P31941 1/20 0.61
▸ APOBEC3G Q9HC16 1/20 0.61
▸ PLG P00747 2/20 0.54
▸ KLK1 P06870 2/20 0.54
▸ KLK6 Q92876 2/20 0.54
▸ KLKB1 P03952 2/20 0.54
▸ FADS1 O60427 1/20 0.54
▸ TAS1R3 Q7RTX0 1/20 0.52

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
SCHEMBL11766334 0.90 PLG (0.66) NPC1RAB9AKMT2AMEN1TP53
SCHEMBL11762173 0.81 NPC1 (0.69) NPC1RAB9AKMT2AMEN1TP53
SCHEMBL17779250 0.80 NPC1 (0.67) NPC1RAB9AKMT2AMEN1TP53
SCHEMBL11763911 0.80 MAPT (0.58) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL30307513 0.77 RAB9A (1.00) NPC1RAB9AKMT2AMEN1TP53
SCHEMBL27347841 0.77 RAB9A (1.00) NPC1RAB9AKMT2AMEN1TP53
SCHEMBL2743100 0.76 NPC1 (1.00) NPC1RAB9AKMT2AMEN1TP53
SCHEMBL29616891 0.76 NPC1 (1.00) NPC1RAB9AKMT2AMEN1TP53
SCHEMBL11761696 0.76 PLG (0.67) NPC1RAB9AKMT2AMEN1TP53
SCHEMBL6580139 0.75 NPC1 (0.63) NPC1RAB9AKMT2AMEN1TP53

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-4008274-A ANTIFOULING YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JA) 1977-02-15 — — US disclosed
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