SCHEMBL28823508

SCHEMBL28823508

C=CC(=O)OCCC.C=CC(=O)OCCCCC

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.81
HPGD P15428 1/20 0.81
ALDH1A1 P00352 3/20 0.69
CYP3A4 P08684 1/20 0.69
HCAR2 Q8TDS4 4/20 0.56
ATM Q13315 1/20 0.55
TP53 P04637 2/20 0.52
HIF1A Q16665 2/20 0.52
HSD17B10 Q99714 1/20 0.52
NAAA Q02083 1/20 0.48
THRB P10828 1/20 0.47
EPHX1 P07099 1/20 0.46

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
SCHEMBL9711094 0.98 TSHR (0.78) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL10490990 0.98 TSHR (0.78) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL33111 0.96 TSHR (0.88) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL7730973 0.94 TSHR (0.84) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL9442075 0.94 TSHR (0.84) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL811560 0.94 TSHR (0.84) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL4458184 0.94 TSHR (0.84) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL10868277 0.94 TSHR (0.84) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL22607678 0.94 TSHR (0.84) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL21218910 0.94 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110461596-A DECORATIVE SHEET, DECORATIVE RESIN MOLDED ARTICLE, AND METHOD FOR PRODUCING SAME DAINIPPON PRINTING CO LTD 2019-11-15 CN disclosed
CN-107920876-A Benchmark basal seat area, benchmark artificial tooth, artificial tooth tools and artificial tooth production method 株式会社德山齿科 2018-04-17 CN disclosed
CN-103476868-B Polycarbonate resin composition and molded article thereof MITSUBISHI CHEMICAL CORP. (JP) 2015-11-25 CN disclosed