SCHEMBL20195258

SCHEMBL20195258

CC(C)Oc1ccc(CCO)cn1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACACB O00763 14/20 0.47
ACACA Q13085 9/20 0.46
ALDH1A1 P00352 1/20 0.43
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PI4KA P42356 1/20 0.39
PIK3CG P48736 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
S1PR1 P21453 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 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
SCHEMBL31475048 0.86 ACACB (0.46) ACACBACACAALDH1A1PIK3CDPIK3CA
SCHEMBL3929602 0.86 ACACB (0.46) ACACBACACAALDH1A1PIK3CDPIK3CA
SCHEMBL20245192 0.84 ACACB (0.46) ACACBACACAALDH1A1PIK3CDPIK3CA
SCHEMBL20237226 0.83 ACACB (0.45) ACACBACACAALDH1A1PIK3CDPIK3CA
SCHEMBL6468241 0.80 ALDH1A1 (0.46) ACACBACACAALDH1A1PIK3CDPIK3CA
SCHEMBL3229511 0.80 NNMT (0.44) ACACBCYP4F2CYP4A11PIK3CA
SCHEMBL21994583 0.79 ALDH1A1 (0.45) ACACBACACAALDH1A1PIK3CDPIK3CA
SCHEMBL21503513 0.79 ACACB (0.46) ACACBACACAALDH1A1PIK3CDPIK3CA
SCHEMBL3939368 0.79 ALDH1A1 (0.45) ACACBACACAALDH1A1PIK3CDPIK3CA
SCHEMBL29796918 0.79 ALDH1A1 (0.45) ACACBACACAALDH1A1PIK3CDPIK3CA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023125681-A1 HETEROCYCLIC COMPOUNDS BEIGENE, LTD. (KY) 2023-07-06 WO disclosed
EP-2729447-B1 POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR H LUNDBECK AS (DK) 2018-05-30 EP disclosed