SCHEMBL17522073

SCHEMBL17522073

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.38
ALDH1A1 P00352 5/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
THRB P10828 1/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK1 P28482 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
TP53 P04637 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 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
SCHEMBL20081652 0.93 TSHR (0.33) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL17522064 0.87 ALDH1A1 (0.43) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL22215979 0.85 TSHR (0.39) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL19959141 0.82 TSHR (0.42) TSHRALDH1A1THRBMEN1KMT2A
SCHEMBL17522074 0.81 ALDH1A1 (0.48) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL22215980 0.81 TSHR (0.41) TSHRALDH1A1THRB
SCHEMBL22215981 0.81 THRB (0.38) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL15294450 0.78 TSHR (0.39) TSHRALDH1A1THRB
SCHEMBL18855010 0.78 TSHR (0.37) TSHRALDH1A1THRBMAPK1TDP1
SCHEMBL14994268 0.77 TSHR (0.44) TSHRALDH1A1THRBTDP1

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
US-20200223966-A1 CURABLE COMPOSITION, FILM, CURED PRODUCT, AND MEDICAL MEMBER FUJIFILM CORPORATION (JP) 2020-07-16 US disclosed
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