SCHEMBL6060093

SCHEMBL6060093

C=C(C)C(N)=O.C=CC(=O)OCCOC(N)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.53
ALDH1A1 P00352 6/20 0.53
TP53 P04637 3/20 0.53
HIF1A Q16665 3/20 0.53
HSD17B10 Q99714 1/20 0.53
HPGD P15428 1/20 0.48
CYP3A4 P08684 2/20 0.48
THRB P10828 4/20 0.45
TDP1 Q9NUW8 1/20 0.44
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
LMNA P02545 2/20 0.38
HTR1A P08908 1/20 0.38
CYP2C19 P33261 1/20 0.38
CHRNA7 P36544 1/20 0.38

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
SCHEMBL4198066 0.88 TSHR (0.67) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL27574139 0.85 TSHR (0.58) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL4619099 0.85 TSHR (0.70) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL27617315 0.82 TSHR (0.76) TSHRALDH1A1TP53HIF1AHSD17B10
Acrylamide SCHEMBL10979100 0.82 TSHR (0.66) TSHRALDH1A1TP53HIF1AHSD17B10
Acrylic Acid Ethyl Ester SCHEMBL28065112 0.81 TDP1 (0.48) TSHRALDH1A1TP53HIF1AHSD17B10
Urethane SCHEMBL9064785 0.81 ALOX15 (0.60) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL7516575 0.81 TSHR (0.44) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL27957904 0.81 TSHR (0.68) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL4873976 0.80 TSHR (0.75) TSHRALDH1A1TP53HIF1AHSD17B10

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-7132476-B2 Thermosetting compositions containing alternating copolymers of isobutylene type monomers PPG INDUSTRIES OHIO, INC. (US) 2006-11-07 US disclosed
US-20040242777-A1 Thermosetting compositions containing alternating copolymers of isobutylene type monomers COCA SIMION (US) 2004-12-02 US disclosed