SCHEMBL8680427

SCHEMBL8680427

C=CCC(OOC(CC=C)c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GSR P00390 1/20 0.35
HTR2A P28223 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
SLC6A4 P31645 2/20 0.34
TSHR P16473 1/20 0.33
ALOX5 P09917 1/20 0.33
OPRD1 P41143 1/20 0.33

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
SCHEMBL939842 0.87 CYP2C19 (0.50) CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT
Methane SCHEMBL28626702 0.85 CYP2C19 (0.48) CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL18236072 0.83 SMN1; SMN2 (0.47) CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL27547164 0.83 CYP2C19 (0.52) CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL369647 0.83 CYP2C19 (0.47) CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL6200840 0.83 SMN1; SMN2 (0.47) CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL28422465 0.83 CYP2C19 (0.47) CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT
Hydrochloric Acid SCHEMBL7234524 0.82 SMN1; SMN2 (0.46) CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL7760225 0.82 CYP2C19 (0.46) CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL27816063 0.82 SLC6A4 (0.50) CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT

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
US-5728766-A ETHYLENE-PROPYLENE COPOLYMERS AND TERPOLYMERS WITH CARBON BLACK EXXON CHEMICAL CO. (US) 1998-03-17 US disclosed
EP-0635042-B1 ETHYLENE ELASTOMER COMPOUNDS HAVING GOOD PROCESSABILITY AND AGING PROPERTIES EXXON CHEMICAL PATENTS INC (US) 1998-01-07 EP disclosed
EP-0635042-A1 ETHYLENE ELASTOMER COMPOUNDS HAVING GOOD PROCESSABILITY AND AGING PROPERTIES EXXON CHEMICAL PATENTS INC. (US) 1995-01-25 EP disclosed
WO-1993021270-A1 ETHYLENE ELASTOMER COMPOUNDS HAVING GOOD PROCESSABILITY AND AGING PROPERTIES EXXON CHEMICAL PATENTS, INC. (US) 1993-10-28 WO disclosed