SCHEMBL9011832

SCHEMBL9011832

C=CN(C)C(=O)COC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
LMNA P02545 2/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 1/20 0.34
FAAH O00519 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
PGR P06401 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
HTR1A P08908 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRM3 P20309 1/20 0.30
TBXA2R P21731 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 1/20 0.30
CHRNA10 Q9GZZ6 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
SCHEMBL10536710 0.82 THRB (0.43) ALDH1A1TSHR
SCHEMBL13793539 0.75 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10TSHRFAAH
SCHEMBL10621262 0.75 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10TSHRFAAH
SCHEMBL11272258 0.73 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10TSHRSMN1; SMN2
SCHEMBL8630187 0.71 ALDH1A1 (0.33) ALDH1A1
SCHEMBL1445661 0.70 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10TSHRFAAH
SCHEMBL9719706 0.70
SCHEMBL3993685 0.69
SCHEMBL21336736 0.67 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10TSHRSMN1; SMN2
SCHEMBL8786940 0.67 ALDH1A1 (0.52) ALDH1A1LMNAHSD17B10TSHRFAAH

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
EP-0169674-B2 Polymer powders ALLIED COLLOIDS LTD (GB) 1996-11-20 EP disclosed
EP-0169674-B1 POLYMER POWDERS Ciba Specialty Chemicals Water Treatments Limited (GB) 1990-05-09 EP disclosed
US-4778836-A WATER SOLUBLE ANIONIC OR CATIONIC ACRYLIC POLYMERS AS ANTIAGGLOMERANTS ALLIED COLLOIDS LIMITED (GB) 1988-10-18 US disclosed
EP-0169674-A2 Polymer powders Ciba Specialty Chemicals Water Treatments Limited (GB) 1986-01-29 EP disclosed