Sugi Predict

Sugi Predict / Compounds / Toluene

Toluene

Toluene

SCHEMBL7860098

Cc1ccccc1.O=C1OC(=O)c2cc(C#Cc3ccccc3)ccc21

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 14/20 0.57
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ FFAR1 O14842 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL4577919 0.92 GRM5 (0.49) GRM5CA12CA1CA2CA9
SCHEMBL72823 0.92 GRM5 (0.66) GRM5ALOX15TDP1
SCHEMBL9611211 0.86 GRM5 (0.56) GRM5ALOX15TDP1
SCHEMBL2640689 0.84 GRM5 (0.53) GRM5ALOX15TDP1
SCHEMBL9885475 0.83 GRM5 (0.56) GRM5ALOX15TDP1
SCHEMBL3447309 0.80 GRM5 (0.51) GRM5ALOX15TDP1
SCHEMBL29246852 0.79 GRM5 (0.54) GRM5FFAR1ALOX15TDP1
SCHEMBL30861777 0.79 GRM5 (0.54) GRM5FFAR1ALOX15TDP1
SCHEMBL14357420 0.79 GRM5 (0.58) GRM5
SCHEMBL9885466 0.79 GRM5 (0.54) GRM5

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
WO-2001058909-A1 PHENYLETHYNYL-CONTAINING IMIDE SILANES THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (NASA) (US) 2001-08-16 — — WO disclosed