SCHEMBL7472245

SCHEMBL7472245

CCC(N)=C(C)C(=O)OCCO

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.35
TSHR P16473 3/20 0.33
ALOX15 P16050 1/20 0.33
THRB P10828 1/20 0.33
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
ALDH1A1 P00352 4/20 0.31
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
SCHEMBL3358244 0.86 TSHR (0.37) TSHRALOX15THRBCHRM2CHRM4
SCHEMBL4453590 0.82 ALDH1A1 (0.52) ACHETSHRALDH1A1LMNAHSD17B10
SCHEMBL1017382 0.82 ALDH1A1 (0.52) ACHETSHRALDH1A1LMNAHSD17B10
SCHEMBL3358255 0.81 ALOX15 (0.48) TSHRALOX15ALDH1A1LMNAHSD17B10
SCHEMBL9003084 0.81 ALOX15 (0.48) TSHRALOX15ALDH1A1LMNAHSD17B10
SCHEMBL27544358 0.79 CHRM1 (0.46) ACHETHRBCHRM2CHRM4CHRM5
SCHEMBL21814420 0.79 TSHR (0.58) ACHETSHRALDH1A1LMNA
SCHEMBL27861651 0.79 ACHE (0.37) ACHETSHRTHRBCHRM5CHRM1
SCHEMBL27716578 0.79 ACHE (0.37) ACHETSHRTHRBCHRM5CHRM1
SCHEMBL27745731 0.78 CHRM2 (0.32) CHRM2CHRM4CHRM5CHRM1CHRM3

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-0996652-B1 TWO-PACKAGE WATERBORNE URETHANE COATINGS DU PONT (US) 2002-12-11 EP disclosed
US-6239214-B1 MACROMONOMER COMPRISING AT LEAST ABOUT 5 WEIGHT PERCENT OF AN UNSATURATED ACID-FUNCTIONAL MONOMER PREPARED USING A COBALT-BASED CATALYTIC CHAIN TRANSFER AGENT E. I. DU PONT DE NEMOURS AND COMPANY 2001-05-29 US disclosed
EP-0996652-A1 TWO-PACKAGE WATERBORNE URETHANE COATINGS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-03 EP disclosed
WO-1999003905-A1 GRAFT COPOLYMER EMULSIONS AND TWO-PACKAGE WATERBORNE URETHANE COATINGS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-01-28 WO disclosed