Toluene

Toluene

SCHEMBL27455697

Cc1ccccc1.O=C(O)c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.56

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.56
KMT2A Q03164 7/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
LMNA P02545 2/20 0.48
TSHR P16473 2/20 0.48
ALOX12 P18054 1/20 0.48
ACHE P22303 1/20 0.48
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 2/20 0.46
HTT P42858 2/20 0.46
KDM4C Q9H3R0 1/20 0.46
AKR1C3 P42330 1/20 0.46
CYP2C9 P11712 2/20 0.44
CYP1A2 P05177 1/20 0.44
TP53 P04637 1/20 0.44
ALDH1A1 P00352 1/20 0.43

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
Biphenyl SCHEMBL2838401 0.82 GAA (0.50) MEN1KMT2ASMN1; SMN2LMNATSHR
SCHEMBL203915 0.78 CES2 (0.43) MEN1KMT2ASMN1; SMN2CES2CES1
SCHEMBL2185510 0.77 CYP3A4 (0.50) MEN1KMT2ASMN1; SMN2CES2CES1
SCHEMBL336420 0.75 CES2 (0.42) MEN1KMT2ASMN1; SMN2CES2CES1
SCHEMBL16756190 0.75 CES2 (0.42) MEN1KMT2ASMN1; SMN2CES2CES1
Toluene SCHEMBL7355317 0.75 LMNA (0.73) MEN1KMT2ASMN1; SMN2CES2CES1
Ammonia Solution, Strong SCHEMBL20291864 0.75 CES2 (0.42) MEN1KMT2ASMN1; SMN2CES2CES1
Hydrochloric Acid SCHEMBL11033629 0.75 CES2 (0.42) MEN1KMT2ASMN1; SMN2CES2CES1
Toluene SCHEMBL2914390 0.75 LMNA (0.73) MEN1KMT2ASMN1; SMN2CES2CES1
Toluene SCHEMBL48134 0.75 LMNA (0.73) MEN1KMT2ASMN1; SMN2CES2CES1

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-1148396-C Photoeresist composition comprising polycyclic polymers with acid labile pendant groups ס�ѵ�ľ��ʽ���� 2004-05-05 CN disclosed