Toluene

Toluene

SCHEMBL8474940

C=C(C(=O)O)C(C=C(C)C(=O)O)Cc1ccccc1.Cc1ccccc1

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.38
CYP2C9 P11712 2/20 0.38
HPGD P15428 1/20 0.38
ALPI P09923 1/20 0.38
PKM P14618 1/20 0.38
PTGS1 P23219 1/20 0.38
XIAP P98170 1/20 0.38
SLC7A5 Q01650 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
TACR1 P25103 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
CYP1A2 P05177 1/20 0.37
CPA1 P15085 3/20 0.36
CPB1 P15086 1/20 0.36
CPA3 P15088 1/20 0.36
CPB2 Q96IY4 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 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
SCHEMBL2951352 0.94 ALPI (0.42) MMECYP2C9HPGDALPIPKM
Methacrylic Acid SCHEMBL3739485 0.92 MME (0.40) MMECYP2C9HPGDALPIPKM
SCHEMBL15639721 0.77 TBXAS1 (0.41) MMECYP2C9HPGDALPIPKM
SCHEMBL3072863 0.77 THRB (0.48) MMEKDM4EPOLBTDP1
SCHEMBL6845371 0.76 CYP1A2 (0.46) MMEALPIPKMPTGS1XIAP
SCHEMBL2912969 0.75 SLC15A1 (0.53) MMEHPGDALPIPKMPTGS1
SCHEMBL963649 0.74 CYP3A4 (0.32) MMECYP2C9HPGD
SCHEMBL28474427 0.72 NPC1 (0.47) CYP2C9HPGDALPIPKMPTGS1
SCHEMBL12193980 0.72 NPC1 (0.47) CYP2C9HPGDALPIPKMPTGS1
Methacrylic Acid SCHEMBL2287000 0.72 CNR2 (0.43) CYP2C9ALPIPKMPTGS1XIAP

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
US-5998091-A COPOLYMER OF A MONOFUNCTIONAL MACROMONOMER HAVING A PARTICULAR POLYMERIZABLE DOUBLE BOND-CONTAINING GROUP SITUATED AT ONLY ONE END OF THE MAIN CHAIN, A QUATERNARY AMMONIUM SALT AND AN AMIDE FUJI PHOTO FILM CO., LTD. (JP) 1999-12-07 US disclosed