Toluene

Toluene

SCHEMBL27833736

CCCCCc1c(C)cccc1-c1ccccc1.Cc1ccccc1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GCGR P47871 5/20 0.43
HSD11B1 P28845 1/20 0.41
KCNH2 Q12809 1/20 0.40
CXCR5 P32302 1/20 0.39
GPR84 Q9NQS5 1/20 0.39
SOAT1 P35610 2/20 0.38
MC4R P32245 1/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
PSMB5 P28074 1/20 0.37
HTR7 P34969 1/20 0.36
PTPN1 P18031 1/20 0.36
CNR1 P21554 1/20 0.36
SCN8A Q9UQD0 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
SCHEMBL6546895 0.95 GCGR (0.47) GCGRHSD11B1KCNH2CXCR5GPR84
SCHEMBL15536291 0.90 PSMB5 (0.43) GCGRHSD11B1SOAT1MC4RPDCD1
SCHEMBL5555116 0.86 GCGR (0.50) GCGRHSD11B1KCNH2GPR84SOAT1
SCHEMBL6546459 0.84 PDCD1 (0.43) CXCR5MC4RPDCD1CD274HTR7
SCHEMBL1024527 0.80 PDCD1 (0.47) GCGRHSD11B1GPR84PDCD1CD274
SCHEMBL1921651 0.79 PPARA (0.49) GCGRSOAT1PDCD1CD274NR1H2
SCHEMBL1841356 0.79 GCGR (0.49) GCGRHSD11B1SOAT1PDCD1CD274
SCHEMBL11663991 0.79 PPARA (0.49) GCGRSOAT1PDCD1CD274NR1H2
SCHEMBL11331976 0.79 PPARA (0.49) GCGRSOAT1PDCD1CD274NR1H2
SCHEMBL8157125 0.79 PPARA (0.49) GCGRSOAT1PDCD1CD274NR1H2

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
CN-102321437-A Novel UV (ultraviolet)-curable decoration adhesive ZHUHAI FREE TRADE ZONE NEOJET APOLLOJET IMAGING MATERIALS CO LTD 2012-01-18 CN claimed
CN-102321437-A Novel UV (ultraviolet)-curable decoration adhesive ZHUHAI FREE TRADE ZONE NEOJET APOLLOJET IMAGING MATERIALS CO LTD 2012-01-18 CN disclosed