SCHEMBL7637487

SCHEMBL7637487

C=C(CC(CC)CCCC)C(=O)O.C=CC(=O)OCCCC

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.59
HPGD P15428 1/20 0.58
ATM Q13315 2/20 0.45
HCAR2 Q8TDS4 3/20 0.44
ALDH1A1 P00352 4/20 0.42
CYP3A4 P08684 3/20 0.42
TDP1 Q9NUW8 2/20 0.38
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RECQL P46063 1/20 0.36
TP53 P04637 2/20 0.36
HIF1A Q16665 2/20 0.36
HSD17B10 Q99714 1/20 0.36
CA2 P00918 3/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL10904175 0.92 ATM (0.56) TSHRHPGDATMHCAR2ALDH1A1
SCHEMBL10904179 0.92 ATM (0.56) TSHRHPGDATMHCAR2ALDH1A1
SCHEMBL7259706 0.92 TSHR (0.51) TSHRHPGDATMHCAR2ALDH1A1
SCHEMBL29396343 0.91 TSHR (0.52) TSHRHPGDATMHCAR2ALDH1A1
SCHEMBL29365418 0.90 TSHR (0.76) TSHRHPGDATMALDH1A1CYP3A4
SCHEMBL7636507 0.88 TSHR (0.58) TSHRHPGDATMHCAR2ALDH1A1
SCHEMBL5838832 0.87 TSHR (0.64) TSHRHPGDATMALDH1A1CYP3A4
SCHEMBL9414248 0.86 TSHR (0.71) TSHRHPGDATMHCAR2ALDH1A1
SCHEMBL27506490 0.85 TSHR (0.61) TSHRHPGDATMHCAR2ALDH1A1
Acrylic Acid SCHEMBL4419560 0.84 TSHR (0.50) TSHRATMALDH1A1CYP3A4TDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114907599-A Method for manufacturing contact lens 望隼科技股份有限公司 2022-08-16 CN disclosed
US-6479559-B1 Chlorinated vinyl chloride resin composition for siding extrusion molding and siding molded article using the same KANEKA CORPORATION (JP) 2002-11-12 US disclosed
US-20020147246-A1 Chlorinated vinyl chloride resin composition for siding extrusion molding and siding molded article using the same KANEKA CORPORATION (JP) 2002-10-10 US disclosed
EP-0412152-B1 SILICONIZED EMULSION BASED PRESSURE-SENSITIVE ADHESIVES AVERY DENNISON CORP (US) 1995-11-02 EP disclosed