SCHEMBL28059517

SCHEMBL28059517

C=CC(=O)OC(C)(C)C=CCC

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.38
HPGD P15428 1/20 0.38
THRB P10828 3/20 0.36
ALDH1A1 P00352 5/20 0.34
TP53 P04637 3/20 0.34
HIF1A Q16665 3/20 0.34
CYP3A4 P08684 2/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL30186391 0.81 TSHR (0.41) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL21699110 0.81 TSHR (0.41) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL29033054 0.79 GAA (0.40) ALDH1A1HSD17B10
SCHEMBL27340139 0.77 CTSK (0.38) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL28049553 0.77 ALDH1A1 (0.35) TSHRTHRBALDH1A1
SCHEMBL672582 0.77 TSHR (0.34) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL1345408 0.76 ALDH1A1 (0.40) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL8048266 0.76
SCHEMBL8048268 0.76
SCHEMBL8048124 0.74 TRPA1 (0.39) ALDH1A1

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-116134056-A Aqueous polymer latex suitable as film-forming copolymer for binders in aqueous coating compositions 巴斯夫欧洲公司 2023-05-16 CN disclosed
CN-105612202-A Fiber composite material, use therefor, and method for the production thereof COVESTRO DEUTSCHLAND AG 2016-05-25 CN disclosed
CN-105592866-A Hardenable multi-part acrylic composition LUCITE INT SPECIALITY POLYMERS & RESINS LTD 2016-05-18 CN disclosed
CN-104024279-B Carbon monoxide-olefin polymeric and for the purposes of hydrogenated nitrile-butadiene rubber LANXESS DEUTSCHLAND GMBH (DE) 2016-05-04 CN disclosed