SCHEMBL21879754

SCHEMBL21879754

CC(=O)C=C(C)C(=O)OCC(C)OC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
TBXA2R P21731 1/20 0.40
GALR3 O60755 1/20 0.39
MAPT P10636 1/20 0.39
BLM P54132 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.34
ALOX15 P16050 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
Propylene Glycol Diacetate SCHEMBL8503200 0.76 TDP1 (0.54) TSHRCHRM2CHRM4CHRM1TBXA2R
Propylene Glycol Diacetate SCHEMBL49091 0.76 TDP1 (0.54) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL14719746 0.76 TSHR (0.38) TSHR
SCHEMBL5027278 0.76 TSHR (0.70) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL7932628 0.76 TSHR (0.44) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL7932630 0.76 TSHR (0.44) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL218091 0.73 TSHR (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R
Propylene Glycol Diacetate SCHEMBL8924978 0.72 TDP1 (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R
Propylene Glycol Diacetate SCHEMBL11501613 0.72 TDP1 (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R
Propylene Glycol Diacetate SCHEMBL73617 0.72 TDP1 (0.50) 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
WO-2020085263-A1 AQUEOUS DISPERSION, PRODUCTION METHOD FOR AQUEOUS DISPERSION, AND USE FOR AQUEOUS DISPERSION 株式会社日本触媒 2020-04-30 WO disclosed
WO-2020085260-A1 AQUEOUS RESIN COMPOSITION, PRODUCTION METHOD FOR AQUEOUS RESIN COMPOSITION, AND USE FOR AQUEOUS RESIN COMPOSITION 株式会社日本触媒 2020-04-30 WO disclosed