Toluene

Toluene

SCHEMBL11179986

CC(C)NC(C)C.CO.Cc1ccccc1

nearest known ligand 0.55

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.55
LMNA P02545 3/20 0.55
ALOX12 P18054 3/20 0.55
ACHE P22303 1/20 0.55
TDP1 Q9NUW8 3/20 0.42
HPGD P15428 2/20 0.41
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
KCNH3 Q9ULD8 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
CYP3A4 P08684 2/20 0.37
ALOX15 P16050 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ALDH1A1 P00352 1/20 0.37
THRB P10828 1/20 0.37
RECQL P46063 1/20 0.37

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 SCHEMBL672208 0.95 TSHR (0.61) TSHRLMNAALOX12ACHETDP1
Toluene SCHEMBL27949240 0.92 TSHR (0.58) TSHRLMNAALOX12ACHETDP1
Toluene SCHEMBL6795640 0.81 LMNA (0.65) TSHRLMNAALOX12ACHETDP1
Toluene SCHEMBL28884246 0.81 ACHE (0.85) TSHRLMNAALOX12ACHETDP1
Toluene SCHEMBL11010267 0.81 ACHE (0.85) TSHRLMNAALOX12ACHETDP1
Toluene SCHEMBL9672173 0.81 ACHE (0.85) TSHRLMNAALOX12ACHETDP1
Toluene SCHEMBL9720616 0.81 ACHE (0.85) TSHRLMNAALOX12ACHETDP1
Toluene SCHEMBL352057 0.81
Toluene SCHEMBL9006971 0.81 ACHE (0.85) TSHRLMNAALOX12ACHETDP1
Toluene SCHEMBL27941911 0.81 ACHE (0.85) TSHRLMNAALOX12ACHETDP1

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
US-4385050-A Antihypertensive polypeptides ARMOUR PHARMACEUTICAL COMPANY (US) 1983-05-24 US disclosed