SCHEMBL9766306

SCHEMBL9766306

CCN(CC)C(CCO)OC(C)=O

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
FDPS P14324 1/20 0.34
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 0.31
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP8 P22894 1/20 0.30
TRPV1 Q8NER1 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL11416649 0.82 TSHR (0.35) TSHRFDPSALDH1A1
SCHEMBL5497201 0.82 MMP1 (0.38) MAPTMMP1MMP2MMP3MMP8
SCHEMBL611932 0.81 TSHR (0.39) TSHRFDPSCHRM2CHRM4CHRM1
SCHEMBL11424256 0.78 TSHR (0.37) TSHRFDPSSMN1; SMN2ALDH1A1
SCHEMBL8553482 0.71 CHRM1 (0.34) TSHRFDPSCHRM1
SCHEMBL609709 0.70 TSHR (0.46) TSHRFDPSCHRM2CHRM4CHRM1
SCHEMBL1433928 0.69 TSHR (0.43) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL6102656 0.68 TSHR (0.39) TSHRFDPSCHRM2CHRM4CHRM1
SCHEMBL1434172 0.68 PRKCA (0.42) TSHRCHRM2CHRM4CHRM1TBXA2R
Hydrochloric Acid SCHEMBL28375443 0.68 TSHR (0.44) TSHRFDPSCHRM2CHRM4CHRM1

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
US-5025004-A Water-dispersible polymeric compositions EASTMAN KODAK COMPANY (US) 1991-06-18 US claimed
US-4960814-A FORMING PSEUDOLATICES BY CONTACTING A WATER-INSOUBLE POLYMER AND WATER-IMMISCIBLE VOLATILE SOLVENT WITH OIL IN WATER AND WATER IN OIL EMULSIFIERS EASTMAN KODAK COMPANY (US) 1990-10-02 US claimed
US-5025004-A Water-dispersible polymeric compositions EASTMAN KODAK COMPANY (US) 1991-06-18 US disclosed
US-4960814-A FORMING PSEUDOLATICES BY CONTACTING A WATER-INSOUBLE POLYMER AND WATER-IMMISCIBLE VOLATILE SOLVENT WITH OIL IN WATER AND WATER IN OIL EMULSIFIERS EASTMAN KODAK COMPANY (US) 1990-10-02 US disclosed
US-4808412-A BIOACTIVE INGREDIENT DISPERSED IN BASIC POLYMER EASTMAN KODAK COMPANY (US) 1989-02-28 US disclosed