SCHEMBL17522078

SCHEMBL17522078

C=CC(=O)NC(COC(=O)C=C)COC(=O)C=C

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 9/20 0.53
▸ ALDH1A1 P00352 5/20 0.42
▸ TP53 P04637 3/20 0.42
▸ HIF1A Q16665 3/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ MAPK1 P28482 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ CYP2C19 P33261 1/20 0.33
▸ THRB P10828 2/20 0.33
▸ MAPT P10636 1/20 0.31
▸ CACNA1B Q00975 1/20 0.31
▸ APBA1 Q02410 1/20 0.31
▸ ACACB O00763 1/20 0.31

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
SCHEMBL16309313 0.86 TSHR (0.55) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL2778184 0.81 TSHR (0.60) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL12317444 0.80 CTSL (0.50) TSHRALDH1A1CYP3A4MAPK1CYP2C19
SCHEMBL10182523 0.80 CTSL (0.50) TSHRALDH1A1CYP3A4MAPK1CYP2C19
SCHEMBL2399074 0.80 CTSL (0.50) TSHRALDH1A1CYP3A4MAPK1CYP2C19
SCHEMBL12285921 0.79 TSHR (0.41) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL17704053 0.78 TSHR (0.47) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL17522071 0.78 TSHR (0.52) TSHRALDH1A1MAPK1TDP1CYP2C19
SCHEMBL14570531 0.78 TSHR (0.61) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL24099524 0.75 TSHR (0.53) TSHRALDH1A1TP53HIF1ACYP3A4

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
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