Toluene

Toluene

SCHEMBL28427945

Cc1ccccc1.Cc1ccccc1OP(=O)(O)Oc1ccccc1C

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.44
KDM4E B2RXH2 2/20 0.43
NOTUM Q6P988 1/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
ALOX12 P18054 1/20 0.41
ACHE P22303 1/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.41
PDE3A Q14432 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
SRC P12931 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39

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
SCHEMBL497602 0.92 KDM4E (0.47) GPR84KDM4ENOTUMLMNATSHR
Fluoride SCHEMBL31047191 0.90 KDM4E (0.46) GPR84KDM4ENOTUMLMNATSHR
SCHEMBL10884019 0.87 SRC (0.52) GPR84KDM4ENOTUMLMNAMAPT
SCHEMBL27572156 0.84 INPPL1 (0.44) GPR84KDM4ENOTUMLMNAMAPT
SCHEMBL21875815 0.83 KDM4E (0.44) GPR84KDM4ENOTUMLMNATSHR
SCHEMBL27613804 0.82 GPR84 (0.49) GPR84KDM4ENOTUMMAPTALDH1A1
SCHEMBL11801740 0.81 SRC (0.44) GPR84KDM4ENOTUMLMNATSHR
Toluene SCHEMBL29065788 0.81 ACP3 (0.41) GPR84KDM4ELMNATSHRALOX12
SCHEMBL29070725 0.81 KDM4E (0.43) GPR84KDM4ENOTUMLMNATSHR
Monoethanolamine SCHEMBL30416853 0.81 MAPT (0.41) GPR84KDM4ENOTUMLMNAMAPT

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
CN-111761772-A Preparation method of high-flame-retardant smoke-suppression LVT floor wear-resistant layer 宜宾天亿新材料科技有限公司 2020-10-13 CN claimed
CN-111380061-A Detection and resource utilization method for phosphorus flame retardant simulation incineration products in electronic garbage 广东产品质量监督检验研究院(国家质量技术监督局广州电气安全检验所、广东省试验认证研究院、华安实验室) 2020-07-07 CN claimed
CN-113603984-A Non-foaming flame-retardant anti-fogging PVC leather and preparation method and application thereof 广东天进新材料有限公司 2021-11-05 CN disclosed
CN-111423799-A Water-based polyurea coating material and preparation method thereof 沈阳化工研究院有限公司 2020-07-17 CN disclosed