SCHEMBL9577012

SCHEMBL9577012

CCOCC(OC(C)=O)c1ccc(C)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.40
LMNA P02545 2/20 0.38
UTS2R Q9UKP6 1/20 0.37
PABPC1 P11940 1/20 0.37
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
STAT3 P40763 1/20 0.36
ACHE P22303 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 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
SCHEMBL28854187 0.84 HPGD (0.41) LMNAUTS2RSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL11855263 0.83 LMNA (0.40) FFAR1LMNAUTS2RPABPC1APOBEC3A
SCHEMBL10520406 0.83 TDP1 (0.41) FFAR1LMNAUTS2RPABPC1APOBEC3A
SCHEMBL16673003 0.80 UTS2R (0.45) FFAR1LMNAUTS2RPABPC1APOBEC3A
Ethylene Glycol SCHEMBL11342349 0.79 CYP4F2 (0.41) FFAR1UTS2RSMN1; SMN2ALDH1A1CYP2C19
SCHEMBL9796283 0.77 UTS2R (0.43) FFAR1LMNAUTS2RPABPC1APOBEC3A
SCHEMBL28343201 0.77 ACHE (0.45) FFAR1LMNAUTS2RPABPC1APOBEC3A
SCHEMBL28343199 0.77 ACHE (0.45) FFAR1LMNAUTS2RPABPC1APOBEC3A
SCHEMBL5043409 0.76 UTS2R (0.42) FFAR1LMNAUTS2RACHEALDH1A1
SCHEMBL15386007 0.76 ALDH1A1 (0.47) PABPC1APOBEC3AAPOBEC3GSMN1; SMN2ALDH1A1

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
EP-0281910-B1 RESIN COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 1993-05-26 EP disclosed
US-4927878-A COATINGS, ADHESIVES EASTMAN KODAK COMPANY (US) 1990-05-22 US disclosed
US-4801629-A COATINGS, ADHESIVES EASTMAN KODAK COMPANY (US) 1989-01-31 US disclosed
US-4797449-A Resin compositions TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-01-10 US disclosed
EP-0281910-A2 Resin compositions Takeda Chemical Industries, Ltd. (JP) 1988-09-14 EP disclosed