Toluene

Toluene

SCHEMBL3233401

Cc1ccc(S(=O)(=O)O)cc1S(=O)(=O)O.Cc1ccccc1

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ TSHR P16473 2/20 0.45
▸ SNCA P37840 2/20 0.44
▸ ALDH1A1 P00352 5/20 0.43
▸ L3MBTL1 Q9Y468 4/20 0.43
▸ CYP2D6 P10635 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ LMNA P02545 3/20 0.42
▸ POLB P06746 2/20 0.41
▸ MAPT P10636 2/20 0.40
▸ SFRP1 Q8N474 1/20 0.40
▸ HTT P42858 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CYP1A2 P05177 2/20 0.39
▸ CA12 O43570 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ ATM Q13315 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
SCHEMBL29993846 0.89 LMNA (0.50) SMN1; SMN2TSHRSNCAALDH1A1LMNA
SCHEMBL153280 0.89 LMNA (0.50) SMN1; SMN2TSHRSNCAALDH1A1LMNA
Hydrochloric Acid SCHEMBL22806308 0.87 LMNA (0.48) TSHRSNCAALDH1A1LMNAPOLB
SCHEMBL11296196 0.87 LMNA (0.48) TSHRSNCAALDH1A1LMNAPOLB
Toluene SCHEMBL5135077 0.86 LMNA (0.50) SMN1; SMN2TSHRSNCAALDH1A1L3MBTL1
SCHEMBL13918642 0.81 ALDH1A1 (0.57) SMN1; SMN2TSHRALDH1A1L3MBTL1LMNA
Toluene SCHEMBL10924679 0.81 TSHR (0.68) SMN1; SMN2TSHRSNCAALDH1A1L3MBTL1
SCHEMBL13721233 0.81 GAA (0.52) TSHRSNCAALDH1A1L3MBTL1LMNA
SCHEMBL12301831 0.81 GAA (0.57) SMN1; SMN2TSHRALDH1A1L3MBTL1LMNA
SCHEMBL12450093 0.80 LMNA (0.48) SMN1; SMN2TSHRALDH1A1L3MBTL1MAPK1

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
EP-2267040-A1 CYCLIZED ISOPRENE POLYMER, ALICYCLIC POLYMER AND OPTICAL RESIN Zeon Corporation (JP) 2010-12-29 — — EP disclosed
Send feedback