SCHEMBL5504190

SCHEMBL5504190

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.41
HPGD P15428 1/20 0.41
THRB P10828 3/20 0.35
ALDH1A1 P00352 5/20 0.33
TP53 P04637 3/20 0.33
HIF1A Q16665 3/20 0.33
CYP3A4 P08684 3/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CTSK P43235 1/20 0.33
HDAC7 Q8WUI4 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TAS1R3 Q7RTX0 2/20 0.32
TAS1R1 Q7RTX1 2/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.32
ZDHHC2 Q9UIJ5 1/20 0.32

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
SCHEMBL25933337 0.87 TSHR (0.46) TSHRHPGDTHRBALDH1A1ZDHHC20
SCHEMBL515831 0.86 TSHR (0.39) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL11590481 0.85 TSHR (0.39) TSHRHPGDTHRBALDH1A1TP53
Hydrochloric Acid SCHEMBL28283677 0.85 TSHR (0.38) TSHRHPGDTHRBALDH1A1TP53
Hydrochloric Acid SCHEMBL28852509 0.84 TSHR (0.43) TSHRHPGDTHRBZDHHC20ZDHHC2
SCHEMBL11590360 0.84 TSHR (0.38) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL16295832 0.84 TSHR (0.38) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL11593256 0.84 TSHR (0.39) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL1614909 0.82 TSHR (0.38) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL11591610 0.81 TSHR (0.43) TSHRHPGDTHRBALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4129610-A VINYL COPOLYMER, EPOXY RESIN HITACHI CHEMICAL CO., LTD. 1978-12-12 US claimed
WO-2014147188-A1 TEMPERATURE-RESPONSIVE CATALYSTS EVONIK INDUSTRIES AG (DE) 2014-09-25 WO disclosed
WO-2014147192-A1 TEMPERATURE-RESPONSIVE CATALYSTS EVONIK INDUSTRIES AG (DE) 2014-09-25 WO disclosed
EP-1846046-A2 ABSORBENT STRUCTURE WITH IMPROVED WATER-ABSORBING MATERIAL The Procter and Gamble Company (US) 2007-10-24 EP disclosed
WO-2006083585-A2 ABSORBENT STRUCTURE WITH IMPROVED WATER-ABSORBING MATERIAL THE PROCTER & GAMBLE COMPANY (US) 2006-08-10 WO disclosed
US-4129610-A VINYL COPOLYMER, EPOXY RESIN HITACHI CHEMICAL CO., LTD. 1978-12-12 US disclosed