SCHEMBL11241834

SCHEMBL11241834

CC(C)(C)OC(=O)C(Br)Oc1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.44
CYP3A4 P08684 6/20 0.44
CYP1A2 P05177 4/20 0.44
KMT2A Q03164 3/20 0.44
CYP2C19 P33261 3/20 0.44
MEN1 O00255 2/20 0.44
CYP2D6 P10635 2/20 0.44
MAPT P10636 2/20 0.44
PMP22 Q01453 2/20 0.42
ABCB11 O95342 1/20 0.42
TSHR P16473 1/20 0.42
HTR2A P28223 1/20 0.42
LMNA P02545 2/20 0.41
ADORA3 P0DMS8 1/20 0.40
CHRM1 P11229 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
SLC6A3 Q01959 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL1360916 0.84 APP (0.42) PPARACYP3A4CYP1A2KMT2ACYP2C19
SCHEMBL11276032 0.82 CYP3A4 (0.42) PPARACYP3A4CYP1A2KMT2ACYP2C19
SCHEMBL8496952 0.80 CYP3A4 (0.51) PPARACYP3A4CYP1A2KMT2ACYP2C19
SCHEMBL5529539 0.79 PPARA (0.50) PPARACYP3A4CYP1A2KMT2ACYP2C19
SCHEMBL11003522 0.76 PPARA (0.42) PPARACYP3A4CYP1A2KMT2ACYP2C19
SCHEMBL11268638 0.76 PPARA (0.50) PPARACYP3A4CYP1A2KMT2ACYP2C19
SCHEMBL10827183 0.76 PPARA (0.58) PPARACYP3A4CYP1A2KMT2ACYP2C19
SCHEMBL11546404 0.76 CYP3A4 (0.48) PPARACYP3A4CYP1A2KMT2ACYP2C19
SCHEMBL1148152 0.76 NPSR1 (0.45) PPARACYP3A4CYP1A2KMT2ACYP2C19
SCHEMBL5532010 0.75 PPARG (0.54) PPARAPPARG

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-4348534-A Preparation of 2-aryloxy-2-haloproptonic acid compounds BASF AKTIENGESELLSCHAFT (DE) 1982-09-07 US disclosed