SCHEMBL5492485

SCHEMBL5492485

CCC(C)(Oc1ccc(Cl)cc1)C(=O)O.CCCNC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.54
PPARG P37231 5/20 0.54
OPRK1 P41145 1/20 0.53
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
MEN1 O00255 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 3/20 0.49
FABP2 P12104 2/20 0.49
PPARD Q03181 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ADORA3 P0DMS8 1/20 0.48
SLC22A12 Q96S37 1/20 0.48
ABCB11 O95342 1/20 0.48
TSHR P16473 1/20 0.48
HTR2A P28223 1/20 0.48
PMP22 Q01453 1/20 0.48

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
SCHEMBL3500736 0.87 PPARA (0.68) PPARAPPARGOPRK1CYP1A2CYP3A4
SCHEMBL11073216 0.81 OPRK1 (0.73) PPARAPPARGOPRK1CYP1A2CYP3A4
SCHEMBL3102154 0.79 PPARA (0.64) PPARAPPARGOPRK1CYP1A2CYP3A4
SCHEMBL11449651 0.77 PPARA (0.55) PPARAPPARGOPRK1CYP1A2CYP3A4
SCHEMBL8935672 0.77 ADORA3 (0.60) PPARAPPARGOPRK1CYP1A2CYP3A4
SCHEMBL8935669 0.77 ADORA3 (0.60) PPARAPPARGOPRK1CYP1A2CYP3A4
SCHEMBL19183361 0.76 OPRK1 (0.66) PPARAPPARGOPRK1CYP1A2CYP3A4
SCHEMBL11572278 0.76 OPRK1 (0.52) PPARAPPARGOPRK1CYP1A2CYP3A4
SCHEMBL1584133 0.75 PPARA (0.59) PPARAPPARGCYP1A2CYP3A4MEN1
SCHEMBL11548490 0.75 ADORA3 (0.61) PPARAPPARGOPRK1CYP1A2CYP3A4

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
WO-2007062198-A1 METHODS TO ACCELERATE THE ISOLATION OF NOVEL CELL STRAINS FROM PLURIPOTENT STEM CELLS AND CELLS OBTAINED THEREBY ADVANCED CELL TECHNOLOGY, INC. (US) 2007-05-31 WO disclosed