Toluene

Toluene

SCHEMBL28340976

C1CCOC1.Cc1ccccc1.[MgH2]

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.55
ACHE P22303 2/20 0.55
TSHR P16473 1/20 0.55
ALOX12 P18054 1/20 0.55
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.37
CRHBP P24387 2/20 0.37
CRHR2 Q13324 2/20 0.37
HTT P42858 1/20 0.37
ORAI1 Q96D31 1/20 0.36
ORAI2 Q96SN7 1/20 0.36
ORAI3 Q9BRQ5 1/20 0.36
TRPV6 Q9H1D0 1/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 4/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 2/20 0.34
POLB P06746 1/20 0.34

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
Toluene SCHEMBL27542416 0.97 LMNA (0.58) LMNAACHETSHRALOX12ALDH1A1
Toluene SCHEMBL9640920 0.97 LMNA (0.58) LMNAACHETSHRALOX12ALDH1A1
Toluene SCHEMBL9640890 0.97 LMNA (0.58) LMNAACHETSHRALOX12ALDH1A1
Toluene SCHEMBL190031 0.97 LMNA (0.58) LMNAACHETSHRALOX12ALDH1A1
Toluene SCHEMBL7754119 0.95 LMNA (0.55) LMNAACHETSHRALOX12ALDH1A1
Toluene SCHEMBL28323002 0.95 LMNA (0.55) LMNAACHETSHRALOX12ALDH1A1
Toluene SCHEMBL28199131 0.95 LMNA (0.55) LMNAACHETSHRALOX12ALDH1A1
Toluene SCHEMBL10611917 0.95 LMNA (0.55) LMNAACHETSHRALOX12ALDH1A1
Toluene SCHEMBL7754116 0.95 LMNA (0.55) LMNAACHETSHRALOX12ALDH1A1
Toluene SCHEMBL5070511 0.95 LMNA (0.55) LMNAACHETSHRALOX12ALDH1A1

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-110483274-A A kind of preparation method of cyclopentolate hydrochloride intermediate SHANDONG SHENLIAN BIOLOGICAL TECH CO LTD 2019-11-22 CN disclosed