SCHEMBL9022222

SCHEMBL9022222

CC(C)N(C)C(=O)COc1nc2ccccc2o1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ELANE P08246 5/20 0.40
ALDH1A1 P00352 2/20 0.39
PPARA Q07869 1/20 0.39
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
PKM P14618 1/20 0.37

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
SCHEMBL10830793 0.89 SMN1; SMN2 (0.41) PPARGSMN1; SMN2ELANEPPARANPC1
SCHEMBL9403532 0.84 MEN1 (0.53) PPARGSMN1; SMN2ELANEALDH1A1PPARA
SCHEMBL10830906 0.82 KMT2A (0.56) SMN1; SMN2ELANEALDH1A1NPC1RAB9A
SCHEMBL9682057 0.80 ELANE (0.42) PPARGELANEPPARA
SCHEMBL11189611 0.79 ELANE (0.38) PPARGSMN1; SMN2ELANEALDH1A1PPARA
SCHEMBL11090608 0.79 PPARG (0.39) PPARGSMN1; SMN2ELANEALDH1A1PPARA
SCHEMBL8861871 0.78 SMN1; SMN2 (0.46) SMN1; SMN2ELANEALDH1A1NPC1RAB9A
SCHEMBL8105831 0.78 RAB9A (0.38) PPARGSMN1; SMN2ELANEALDH1A1NPC1
SCHEMBL8105834 0.78 RAB9A (0.38) PPARGSMN1; SMN2ELANEALDH1A1NPC1
SCHEMBL2539650 0.78 MEN1 (0.50) SMN1; SMN2ELANEALDH1A1PPARANPC1

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
EP-0709380-A2 N-methyl-,N-isopropyl-heteroaryloxy acetamides BAYER AG (DE) 1996-05-01 EP disclosed