SCHEMBL17522100

SCHEMBL17522100

C=CC(=O)OC(C)CN(CC(C)OC(=O)C=C)C(=O)C=C

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.41
HPGD P15428 1/20 0.32
ZDHHC20 Q5W0Z9 2/20 0.32
ZDHHC2 Q9UIJ5 1/20 0.32
ALDH1A1 P00352 3/20 0.31
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
CYP3A4 P08684 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL16285094 0.85 TSHR (0.41) TSHRZDHHC20ZDHHC2ALDH1A1
SCHEMBL17522104 0.82 ZDHHC20 (0.36) TSHRZDHHC20ZDHHC2ALDH1A1
SCHEMBL1038644 0.81 TSHR (0.44) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL16285070 0.81 TSHR (0.35) TSHRZDHHC20ZDHHC2ALDH1A1
SCHEMBL17522102 0.81 TSHR (0.38) TSHRALDH1A1
SCHEMBL13113798 0.80 TSHR (0.31) TSHR
SCHEMBL28659892 0.78 SCN1A (0.42) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL372826 0.76 CA12 (0.48) TSHRZDHHC20ZDHHC2ALDH1A1HSD17B10
SCHEMBL672062 0.76 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL6275105 0.76 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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