SCHEMBL11804116

SCHEMBL11804116

CC(C)(C)C(=O)C(CO)Oc1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 18/20 0.50
PPARG P37231 17/20 0.50
CYP3A4 P08684 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ADORA3 P0DMS8 1/20 0.49
CHRM1 P11229 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
ADRA1A P35348 1/20 0.49
SLC6A3 Q01959 1/20 0.49
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL11806845 0.87 PPARA (0.50) PPARAPPARGCYP3A4MEN1KMT2A
SCHEMBL11807262 0.83 PPARG (0.44) PPARAPPARG
SCHEMBL14664095 0.83 PPARG (0.50) PPARAPPARGCYP3A4MEN1KMT2A
SCHEMBL11809429 0.83 OGG1 (0.47) KMT2ASLC6A4MAPT
SCHEMBL11807746 0.82 SMN1; SMN2 (0.42) PPARAPPARGMEN1KMT2ASLC6A2
SCHEMBL11294082 0.80 PPARG (0.47) PPARAPPARGMAPT
SCHEMBL11512996 0.80 CYP3A4 (0.54) PPARAPPARGCYP3A4MEN1KMT2A
SCHEMBL1874697 0.80 PPARG (0.70) PPARAPPARG
SCHEMBL11079790 0.79 PPARA (0.52) PPARACYP3A4MEN1KMT2ACYP1A2
SCHEMBL11810480 0.79 POLB (0.47) PPARAPPARGMEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3987180-A 1-PROPYL-IMIDAZOLYL ANTIMYCOTIC COMPOSITIONS AND METHODS OF TREATING MYCOSES BAYER AKTIENGESELLSCHAFT (DT) 1976-10-19 US disclosed
US-3940415-A FUNGICIDE BAYER AKTIENGESELLSCHAFT (DT) 1976-02-24 US disclosed
US-3940413-A ANTIMYCOTIC BAYER AKTIENGESELLSCHAFT (DT) 1976-02-24 US disclosed