SCHEMBL17522097

SCHEMBL17522097

C=CC(=O)N1C(C)(C)CC(OC(=O)C(=C)C)CC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 2/20 0.35
ESR1 P03372 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL12415253 0.90 TSHR (0.33) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL20081645 0.89 TSHR (0.35) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL8849275 0.85 TSHR (0.44) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL9008833 0.85 KMT2A (0.38) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL5410228 0.84 TSHR (0.38) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL8850033 0.82 TSHR (0.33) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL10329363 0.80 TSHR (0.32) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL1954401 0.80 TSHR (0.39) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL8854706 0.80 TSHR (0.39) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL67638 0.80 TSHR (0.39) TSHRKMT2AALDH1A1ESR1HSD17B10

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
EP-2725009-B1 POLYMERIZABLE COMPOUND, INK CARTRIDGE CONTAINING INK INCLUDING THE POLYMERIZABLE COMPOUND, INKJET RECORDING APPARATUS USING THE INK CARTRIDGE, AND PRINT FORMED BY INK INCLUDING THE POLYMERIZABLE COMPOUND RICOH CO LTD (JP) 2018-04-25 EP disclosed
US-9267043-B2 Polymerizable compound, ink cartridge containing ink including the polymerizable compound, inkjet recording apparatus using the ink cartridge, and print formed by ink including the polymerizable compound RICOH COMPANY, LTD. (JP) 2016-02-23 US disclosed
US-9267043-B2 Polymerizable compound, ink cartridge containing ink including the polymerizable compound, inkjet recording apparatus using the ink cartridge, and print formed by ink including the polymerizable compound RICOH COMPANY, LTD. (JP) 2016-02-23 US disclosed