Toluene

Toluene

SCHEMBL28503513

CC(O)COc1ccc(Oc2ccccc2)cc1.Cc1ccccc1

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.73
LTA4H P09960 3/20 0.50
CYP2D6 P10635 2/20 0.47
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
ATM Q13315 1/20 0.46
MAOA P21397 1/20 0.45
PTGS1 P23219 1/20 0.45
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MTNR1A P48039 3/20 0.44

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
SCHEMBL4046461 0.93 LMNA (0.85) LMNALTA4HCYP2D6ADRB2ADRB1
SCHEMBL9713476 0.93 LMNA (0.85) LMNALTA4HCYP2D6ADRB2ADRB1
SCHEMBL1496544 0.93 LMNA (0.85) LMNALTA4HCYP2D6ADRB2ADRB1
SCHEMBL4050984 0.87 LMNA (0.59) LMNALTA4HADRB2ADRB1MEN1
SCHEMBL50453 0.86 LMNA (1.00) LMNACYP2D6ADRB2ADRB1ADRB3
SCHEMBL2943775 0.86 LMNA (1.00) LMNACYP2D6ADRB2ADRB1ADRB3
SCHEMBL3254859 0.86 LMNA (1.00) LMNACYP2D6ADRB2ADRB1ADRB3
SCHEMBL1618880 0.86 LMNA (1.00) LMNACYP2D6ADRB2ADRB1ADRB3
SCHEMBL14570065 0.84 LMNA (0.67) LMNACYP2D6PTGS1MAPTKDM4E
SCHEMBL1496750 0.84 LMNA (0.67) LMNACYP2D6PTGS1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112174784-A Crystal form A of 1- (4-phenoxyphenoxy) -2-propanol and preparation method and application thereof 江苏龙灯化学有限公司 2021-01-05 CN disclosed