SCHEMBL8680424

SCHEMBL8680424

C=CCc1ccccc1COOCc1ccccc1CC=C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.45
GABRB2 P47870 2/20 0.45
HTR1A P08908 2/20 0.41
ADRA2C P18825 2/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
NISCH Q9Y2I1 1/20 0.41
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ADRB2 P07550 3/20 0.36
ADRB1 P08588 3/20 0.36
LMNA P02545 2/20 0.36
ADRB3 P13945 1/20 0.36
SLC6A2 P23975 1/20 0.36
BDKRB2 P30411 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
HTR2B P41595 1/20 0.36
KCNH2 Q12809 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL939841 0.86 GABRA1 (0.45) GABRA1GABRB2HTR1AADRA2CADRA2A
SCHEMBL29763626 0.85 GABRA1 (0.56) GABRA1GABRB2HTR1AADRA2CADRA2A
SCHEMBL173300 0.85 GABRA1 (0.56) GABRA1GABRB2HTR1AADRA2CADRA2A
Phosphine SCHEMBL28908229 0.83 GABRA1 (0.54) GABRA1GABRB2HTR1AADRA2CADRA2A
SCHEMBL10528834 0.83 GABRA1 (0.54) GABRA1GABRB2HTR1AADRA2CADRA2A
Benzene SCHEMBL28085432 0.83 GABRA1 (0.54) GABRA1GABRB2HTR1AADRA2CADRA2A
SCHEMBL19437729 0.83 GABRA1 (0.54) GABRA1GABRB2HTR1AADRA2CADRA2A
SCHEMBL11765775 0.83 GABRA1 (0.54) GABRA1GABRB2HTR1AADRA2CADRA2A
SCHEMBL15848399 0.83 GABRA1 (0.42) GABRA1GABRB2HTR1AADRA2CADRA2A
SCHEMBL369646 0.83 GABRA1 (0.42) GABRA1GABRB2HTR1AADRA2CADRA2A

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