SCHEMBL5300988

SCHEMBL5300988

CCc1ccc(OC(C)Oc2ccc(CC)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
CYP2C19 P33261 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
RXRA P19793 1/20 0.39

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
SCHEMBL13156094 0.91 PPARG (0.45) PPARGPPARACYP2C19SMN1; SMN2POLB
SCHEMBL5701335 0.87 PPARA (0.42) PPARGPPARACYP2C19SMN1; SMN2POLB
SCHEMBL17790001 0.87 PPARG (0.42) PPARGPPARACYP2C19SMN1; SMN2POLB
SCHEMBL805120 0.86 POLB (0.57) PPARGPPARACYP2C19POLBALDH1A1
SCHEMBL13155843 0.84 PPARG (0.41) PPARGPPARACYP2C19SMN1; SMN2POLB
SCHEMBL7106151 0.84 PPARG (0.41) PPARGPPARACYP2C19SMN1; SMN2POLB
SCHEMBL13777914 0.84 PPARG (0.48) PPARGPPARACYP2C19TP53TDP1
SCHEMBL27860136 0.82 PPARG (0.40) PPARGPPARACYP2C19SMN1; SMN2POLB
SCHEMBL13439646 0.82 ALDH1A1 (0.40) PPARGPPARASMN1; SMN2TSHRALDH1A1
SCHEMBL24455139 0.82 PPARG (0.45) PPARGPPARACYP2C19SMN1; SMN2POLB

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-2006138653-A9 THERMAL RECORDING MATERIALS AND METHODS OF MAKING AND USING THE SAME NASHUA CORP (US) 2007-03-01 WO disclosed
WO-2006138653-A1 THERMAL RECORDING MATERIALS AND METHODS OF MAKING AND USING THE SAME NASHUA CORPORATION (US) 2006-12-28 WO disclosed