SCHEMBL8926665

SCHEMBL8926665

CC(=O)OC(C)C(=O)O.[NaH]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
TBXA2R P21731 1/20 0.39
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GALR3 O60755 1/20 0.38
MAPT P10636 1/20 0.38
BLM P54132 1/20 0.38
ALOX15 P16050 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL140867 0.97
SCHEMBL1764859 0.97
SCHEMBL140866 0.97
Acetic Acid SCHEMBL11308256 0.94 TSHR (0.52) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL28475099 0.94 TSHR (0.52) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL16174470 0.94 TSHR (0.52) TSHRCHRM2CHRM4CHRM1TBXA2R
Hydrochloric Acid SCHEMBL1373160 0.94 TSHR (0.52) TSHRCHRM2CHRM4CHRM1TBXA2R
Methane SCHEMBL5081883 0.94 TSHR (0.52) TSHRCHRM2CHRM4CHRM1TBXA2R
Hydrochloric Acid SCHEMBL16086367 0.94 TSHR (0.52) TSHRCHRM2CHRM4CHRM1TBXA2R
Hydrochloric Acid SCHEMBL611983 0.94 TSHR (0.52) TSHRCHRM2CHRM4CHRM1TBXA2R

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-5672735-A 5-((ACETYLOXY)-1-OXOPROPYL)AMINO)-2,4,6-TRIIODO-1,3-BENZENEDI CARBONYL CHLORIDE BY REACTING 5-AMINO-2,4,6-TRIIODOBENZENE DICARBONYL CHLORIDE WITH THE PROPIONYL CHLORIDE COMPOUND USING AN APROTIC DIPOLAR SOLVENT AND HALOHYDRIC ACID CATALYST FRUCTAMINE S.P.A. (IT) 1997-09-30 US disclosed
US-4166005-A CULTIVATING A MEMBER OF THE LACTOBACILLACEAE FAMILY, PROMOTER EASTMAN KODAK COMPANY (US) 1979-08-28 US disclosed