SCHEMBL8767995

SCHEMBL8767995

CC(=O)Oc1ccc(/C=C(\C)c2ccc(OC(C)=O)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.55
ESR2 Q92731 1/20 0.55
ELANE P08246 2/20 0.55
MAPT P10636 3/20 0.54
LMNA P02545 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
KDM4E B2RXH2 1/20 0.54
TTR P02766 1/20 0.54
TP53 P04637 1/20 0.54
CYP3A4 P08684 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HSD17B10 Q99714 1/20 0.53
NQO2 P16083 5/20 0.50
PTGS1 P23219 3/20 0.49
PTGS2 P35354 3/20 0.49
PGR P06401 1/20 0.47
CHRM2 P08172 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
AR P10275 1/20 0.47

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
SCHEMBL8767998 1.00 ESR1 (0.55) ESR1ESR2ELANEMAPTLMNA
SCHEMBL5692795 0.93 HSD17B10 (0.65) ESR1ESR2ELANEMAPTLMNA
SCHEMBL5692793 0.93 HSD17B10 (0.65) ESR1ESR2ELANEMAPTLMNA
SCHEMBL7027310 0.91 ESR1 (0.53) ESR1ESR2ELANEMAPTLMNA
Fenabutene SCHEMBL2111368 0.82 ELANE (0.60) ESR1ELANEMAPTLMNAMEN1
Fenabutene SCHEMBL28884547 0.82 ELANE (0.60) ESR1ELANEMAPTLMNAMEN1
SCHEMBL872233 0.82 MAPT (0.59) ESR1ELANEMAPTLMNAMEN1
Fenabutene SCHEMBL28884548 0.82 ELANE (0.60) ESR1ELANEMAPTLMNAMEN1
SCHEMBL5356686 0.82 MAPT (0.51) ESR1ELANEMAPTLMNAMEN1
SCHEMBL5356681 0.82 MAPT (0.51) ESR1ELANEMAPTLMNAMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0789722-A1 POLYCARBONATE AND POLYESTER COMPOSITIONS THE DOW CHEMICAL COMPANY (US) 1997-08-20 EP disclosed
US-5614599-A STILBENEDIOL, MELT PROCESSABILITY, MOLDINGS THE DOW CHEMICAL COMPANY (US) 1997-03-25 US disclosed
WO-1996013539-A1 POLYCARBONATE AND POLYESTER COMPOSITIONS THE DOW CHEMICAL COMPANY (US) 1996-05-09 WO disclosed