SCHEMBL11406583

SCHEMBL11406583

CC(C)(C)C(=O)OCc1nccnc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 3/20 0.43
▸ CHRM4 P08173 3/20 0.43
▸ CHRM5 P08912 3/20 0.43
▸ CHRM1 P11229 3/20 0.43
▸ CHRM3 P20309 3/20 0.43
▸ NPC1 O15118 5/20 0.37
▸ ELANE P08246 1/20 0.35
▸ RAB9A P51151 4/20 0.35
▸ L3MBTL1 Q9Y468 4/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ SENP6 Q9GZR1 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ GAA P10253 3/20 0.35
▸ KDM4E B2RXH2 3/20 0.35

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
SCHEMBL11399746 0.81 CHRM2 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL22583527 0.79 NQO1 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8623554 0.79 CHRM2 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL11402766 0.78 ALDH1A1 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL16503961 0.70 LMNA (0.41) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL11397020 0.70 KDM4E (0.43) NPC1ELANERAB9AL3MBTL1CASP3
SCHEMBL11398940 0.69 NPC1 (0.42) NPC1ELANERAB9AL3MBTL1CASP3
SCHEMBL28133648 0.67 MAPKAPK2 (0.35) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL12193372 0.67 CYP19A1 (0.46) NPC1ELANERAB9AL3MBTL1CASP3
SCHEMBL12457974 0.67 MAPT (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3

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-4267327-A FOR USE IN LOWERING LIPID, TRIGLYCERIDE AND CHOLESTEROL LEVELS FARMITALIA CARLO ERBA S.P.A. (IT) 1981-05-12 — — US disclosed
Send feedback