SCHEMBL9443501

SCHEMBL9443501

C=CC(=O)OCCC(=O)OCCCCCCCCCCCC

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.68
HPGD P15428 1/20 0.68
ALDH1A1 P00352 3/20 0.63
CYP3A4 P08684 1/20 0.63
NAAA Q02083 1/20 0.55
DGKA P23743 1/20 0.55
HTR2C P28335 1/20 0.53
HCAR2 Q8TDS4 2/20 0.51
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
RAD52 P43351 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ATM Q13315 1/20 0.47
FAAH O00519 1/20 0.46
DNM1 Q05193 1/20 0.46
TP53 P04637 2/20 0.44
HIF1A Q16665 2/20 0.44
HSD17B10 Q99714 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
SCHEMBL10426125 0.93 TSHR (0.68) TSHRHPGDALDH1A1CYP3A4NAAA
SCHEMBL1673486 0.93 TSHR (0.79) TSHRHPGDALDH1A1CYP3A4NAAA
SCHEMBL10030735 0.92 DGKA (0.68) TSHRHPGDALDH1A1CYP3A4NAAA
SCHEMBL9417606 0.91 TSHR (0.76) TSHRHPGDALDH1A1CYP3A4NAAA
SCHEMBL13779732 0.90 TSHR (0.73) TSHRHPGDALDH1A1CYP3A4NAAA
SCHEMBL16327390 0.90 TSHR (0.68) TSHRHPGDALDH1A1CYP3A4NAAA
SCHEMBL2610341 0.90 TSHR (0.72) TSHRHPGDALDH1A1CYP3A4NAAA
SCHEMBL2467554 0.89 TSHR (0.72) TSHRHPGDALDH1A1CYP3A4NAAA
SCHEMBL7647533 0.89 TSHR (0.84) TSHRHPGDALDH1A1CYP3A4NAAA
SCHEMBL21218910 0.89 TSHR (0.84) TSHRHPGDALDH1A1CYP3A4NAAA

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-5243069-A Radiation curable, coatings, adhesives, binders ROHM AND HAAS COMPANY (US) 1993-09-07 US disclosed
US-4588788-A CARBOXYETHYL ACRYLATE ESTERS ROHM AND HAAS COMPANY (US) 1986-05-13 US disclosed