SCHEMBL9016917

SCHEMBL9016917

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
ALDH1A1 P00352 2/20 0.35
TRPV1 Q8NER1 1/20 0.33
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
GALR3 O60755 1/20 0.30
MAPT P10636 1/20 0.30
BLM P54132 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL397302 0.74 TSHR (0.34) TSHR
SCHEMBL19333598 0.72 TSHR (0.46) TSHRALDH1A1CHRM2CHRM4CHRM1
SCHEMBL13419032 0.72 TSHR (0.46) TSHRALDH1A1CHRM2CHRM4CHRM1
SCHEMBL13454198 0.72 TSHR (0.46) TSHRALDH1A1CHRM2CHRM4CHRM1
SCHEMBL3503019 0.72
SCHEMBL992095 0.72 TSHR (0.46) TSHRALDH1A1CHRM2CHRM4CHRM1
SCHEMBL5772368 0.71 TSHR (0.40) TSHRALDH1A1CHRM2CHRM4CHRM1
SCHEMBL366543 0.70 TGFBR1 (0.37) TSHRALDH1A1
SCHEMBL14079329 0.70
SCHEMBL18689521 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0453010-B1 Copolymer compositions comprising a copolymer and one or more lubricating additives SHELL INT RESEARCH (NL) 1996-06-05 EP disclosed
US-5135976-A MELT STABILIZED POLYKETONE COPOLYMER COMPOSITIONS CONTAINING GLYCIDYL ETHER COMPOUND SHELL OIL COMPANY (US) 1992-08-04 US disclosed
US-5115002-A Carbon monoxide-ethylene copolymer and a zeolite stabilizer SHELL OIL COMPANY (US) 1992-05-19 US disclosed
US-5075422-A PROCESS FOR THE PREPARATION OF POLYKETONE COPOLYMERS AND COPOLYMER WASH WITH LIQUID COMPRISING CARBOXYLIC COMPOUND SHELL OIL COMPANY (US) 1991-12-24 US disclosed
EP-0453010-A1 Copolymer compositions comprising a copolymer and one or more lubricating additives SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-10-23 EP disclosed