SCHEMBL8429671

SCHEMBL8429671

CCOc1c(C=O)cccc1N(C)c1nc2ccccc2o1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
PPARG P37231 11/20 0.39
PPARA Q07869 7/20 0.39
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
C1R P00736 1/20 0.37
PPARD Q03181 6/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ELANE P08246 1/20 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
SCHEMBL8716801 0.82 NPC1 (0.47) NPC1ALDH1A1GAAPPARGPPARA
SCHEMBL8429714 0.74 ALDH1A1 (0.36) NPC1ALDH1A1GAAMAPTMEN1
SCHEMBL6205162 0.73 CA1 (0.41) NPC1ALDH1A1GAAMAPTMEN1
SCHEMBL8429668 0.71 PPARG (0.53) ALDH1A1PPARGPPARA
SCHEMBL8716289 0.70 PPARG (0.48) NPC1ALDH1A1PPARGPPARAPPARD
SCHEMBL8716282 0.70 PPARG (0.47) NPC1ALDH1A1PPARGPPARA
SCHEMBL10431312 0.67 SMN1; SMN2 (0.45) NPC1ALDH1A1GAAMAPTHDAC6
SCHEMBL6591666 0.66 MAPT (0.46) NPC1ALDH1A1GAAPPARGMAPT
SCHEMBL7830197 0.66 PPARG (0.57) PPARGPPARA
SCHEMBL4744468 0.66 PPARG (0.63) PPARGPPARA

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-5869495-A TREATMENT AND/OR PROPHYLAXIS OF HYPERGLYCAEMIA SMITHKLINE BEECHAM P.L.C. (GB) 1999-02-09 US disclosed