Toluene

Toluene

SCHEMBL28102772

CC(C)(C)c1ccc(C(=O)O)cc1.Cc1ccccc1

nearest known ligand 0.69

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.69
RARB P10826 1/20 0.62
RARG P13631 1/20 0.62
ALDH1A1 P00352 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
NR1H4 Q96RI1 3/20 0.59
EPHX2 P34913 2/20 0.59
RAB9A P51151 2/20 0.58
MAPT P10636 2/20 0.58
NPC1 O15118 1/20 0.58
RXRA P19793 4/20 0.56
RXRB P28702 4/20 0.56
RXRG P48443 1/20 0.53
NR4A2 P43354 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
TSHR P16473 1/20 0.52
TDP1 Q9NUW8 2/20 0.51
LMNA P02545 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL11598724 0.92 SRD5A2 (0.74) SRD5A2RARBRARGALDH1A1SMN1; SMN2
Benzoic Acid SCHEMBL9155688 0.90 SRD5A2 (0.77) SRD5A2RARBRARGNR1H4EPHX2
Benzoic Acid SCHEMBL11549239 0.88 SRD5A2 (0.74) SRD5A2RARBRARGNR1H4EPHX2
SCHEMBL36693 0.88 SRD5A2 (0.87) SRD5A2RARBRARGALDH1A1SMN1; SMN2
Methane SCHEMBL10959139 0.86 SRD5A2 (0.83) SRD5A2RARBRARGALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL1017064 0.86 SRD5A2 (0.83) SRD5A2RARBRARGALDH1A1SMN1; SMN2
SCHEMBL9120613 0.86 SRD5A2 (0.83) SRD5A2RARBRARGALDH1A1SMN1; SMN2
SCHEMBL592353 0.86 SRD5A2 (0.83) SRD5A2RARBRARGALDH1A1SMN1; SMN2
SCHEMBL9269555 0.86 SRD5A2 (0.83) SRD5A2RARBRARGALDH1A1SMN1; SMN2
SCHEMBL4888416 0.86 SRD5A2 (0.83) SRD5A2RARBRARGALDH1A1SMN1; SMN2

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-205549633-U Toluene recovery device 天津市晟鑫化工有限公司 2016-09-07 CN disclosed