Toluene

Toluene

SCHEMBL27618261

Cc1ccccc1.O=C(O)C1CC2C=CC1C2

nearest known ligand 0.47

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 6/20 0.43
KMT2A Q03164 1/20 0.43
RAB9A P51151 1/20 0.40
THRB P10828 1/20 0.40
FFAR1 O14842 2/20 0.39
TDP1 Q9NUW8 2/20 0.38
TSHR P16473 1/20 0.37
ALOX12 P18054 1/20 0.37
ACHE P22303 1/20 0.37
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
ESR2 Q92731 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 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
SCHEMBL5054199 0.84 KDM4E (0.61) KDM4ELMNAALDH1A1KMT2ARAB9A
SCHEMBL5058845 0.84 KDM4E (0.61) KDM4ELMNAALDH1A1KMT2ARAB9A
SCHEMBL6382754 0.84 KDM4E (0.61) KDM4ELMNAALDH1A1KMT2ARAB9A
SCHEMBL6161898 0.84 KDM4E (0.61) KDM4ELMNAALDH1A1KMT2ARAB9A
SCHEMBL5431682 0.84 KDM4E (0.61) KDM4ELMNAALDH1A1KMT2ARAB9A
SCHEMBL24004713 0.84 KDM4E (0.61) KDM4ELMNAALDH1A1KMT2ARAB9A
SCHEMBL75505 0.84 KDM4E (0.61) KDM4ELMNAALDH1A1KMT2ARAB9A
SCHEMBL16898630 0.84 KDM4E (0.61) KDM4ELMNAALDH1A1KMT2ARAB9A
SCHEMBL21705290 0.84 KDM4E (0.61) KDM4ELMNAALDH1A1KMT2ARAB9A
SCHEMBL900095 0.84 KDM4E (0.61) KDM4ELMNAALDH1A1KMT2ARAB9A

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-1692131-A Method for polymerizing cycloolefin polymer having polar functional group and electronic device using the polymerized cycloolefin LG CHEMICAL LTD (KR) 2005-11-02 CN disclosed