SCHEMBL6913571

SCHEMBL6913571

C=CC(=O)OC1(C(CC)CCCC)CC1.C=CC(=O)OCCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.50
HPGD P15428 1/20 0.50
ALDH1A1 P00352 2/20 0.46
CYP3A4 P08684 1/20 0.46
HCAR2 Q8TDS4 2/20 0.40
PRKCA P17252 2/20 0.37
ATM Q13315 1/20 0.36
NAAA Q02083 3/20 0.35
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
EPHX1 P07099 1/20 0.33
TP53 P04637 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL789870 0.90 TSHR (0.48) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL1764285 0.81 TSHR (0.41) TSHRHPGD
SCHEMBL14574685 0.77 TSHR (0.84) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL877669 0.77 TSHR (0.84) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL4458184 0.77 TSHR (0.84) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL7730973 0.77 TSHR (0.84) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL7647533 0.77 TSHR (0.84) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL21218910 0.77 TSHR (0.84) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL22607678 0.77 TSHR (0.84) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL14967 0.77 TSHR (0.84) TSHRHPGDALDH1A1CYP3A4HCAR2

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
US-6831131-B2 Comprises 1-40% by weight of impact modifier comprising ethylene/acrylate copolymers, vinyl acetate copolymers, polyethylene obtained by metallocene catalysis ATOFINA (FR) 2004-12-14 US claimed
US-20030130429-A1 Composition based on polypropylene on an ethylene/alkyl acrylate copolymer ATOFINA (FR) 2003-07-10 US claimed