SCHEMBL11237356

SCHEMBL11237356

CCCP(=O)(OCCO)OCCO

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.54
TSHR P16473 3/20 0.36
CYP3A4 P08684 2/20 0.36
LPAR3 Q9UBY5 3/20 0.35
LPAR1 Q92633 2/20 0.35
LPAR2 Q9HBW0 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.32
ACHE P22303 1/20 0.31

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
SCHEMBL28292031 0.83 PPARD (0.47) PPARDCYP3A4LPAR3LPAR1LPAR2
SCHEMBL15250938 0.83 PPARD (0.47) PPARDTSHRCYP3A4LPAR3LPAR1
SCHEMBL11133287 0.82 PPARD (0.61) PPARDTSHRMEN1KMT2A
SCHEMBL575421 0.82 PPARD (0.42) PPARDTSHRCYP3A4LPAR3LPAR1
SCHEMBL4451195 0.81 PPARD (0.67) PPARDTSHRCYP3A4LPAR3LPAR1
SCHEMBL28434140 0.80 PPARD (0.54) PPARDTSHRALDH1A1THRB
SCHEMBL26980275 0.79 PPARD (0.56) PPARDTSHRCYP3A4LPAR3LPAR1
SCHEMBL2405777 0.79 PPARD (0.63) PPARDTSHRALDH1A1
SCHEMBL4451507 0.78 CYP3A4 (0.61) PPARDTSHRCYP3A4LPAR3LPAR1
SCHEMBL2487586 0.77 PPARD (0.43) PPARDTSHRCYP3A4LPAR3LPAR1

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-4314052-A Polyester which is soluble or dispersible in water, a process for its preparation and its use as a levelling auxiliary, levelling auxiliaries and processes for uniform dyeing CASSELLA AKTIENGESELLSCHAFT (DE) 1982-02-02 US disclosed