Toluene

Toluene

SCHEMBL21436688

CC=COCC.Cc1ccccc1

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
LMNA P02545 1/20 0.46
ALOX12 P18054 1/20 0.46
ACHE P22303 1/20 0.46
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HPGD P15428 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CASP1 P29466 1/20 0.35
CASP3 P42574 1/20 0.35
CASP7 P55210 1/20 0.35
SENP8 Q96LD8 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
RELA Q04206 1/20 0.33
RECQL P46063 1/20 0.33
LTA4H P09960 1/20 0.32
PTGS2 P35354 1/20 0.32

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
Biphenyl SCHEMBL28066254 0.85 ALDH1A1 (0.39) MEN1KMT2AHPGDKDM4EALDH1A1
Toluene SCHEMBL27550219 0.77 TSHR (0.48) TSHRLMNAALOX12ACHEMEN1
SCHEMBL692346 0.76
SCHEMBL470368 0.76
SCHEMBL503842 0.76
Toluene SCHEMBL27801636 0.73 TSHR (0.44) TSHRLMNAALOX12ACHEMEN1
Toluene SCHEMBL98542 0.72 TSHR (0.61) TSHRLMNAALOX12ACHEMEN1
Toluene SCHEMBL8432145 0.72 TSHR (0.61) TSHRLMNAALOX12ACHEMEN1
Toluene SCHEMBL6666240 0.72 TSHR (0.61) TSHRLMNAALOX12ACHEMEN1
Toluene SCHEMBL8107016 0.72 TSHR (0.61) TSHRLMNAALOX12ACHEMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3773475-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TRANSMUCOSAL DELIVERY OF THERAPEUTIC PEPTIDES AND PROTEINS Cyprumed GmbH (AT) 2021-02-17 EP claimed
WO-2019193204-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TRANSMUCOSAL DELIVERY OF THERAPEUTIC PEPTIDES AND PROTEINS CYPRUMED GMBH (AT) 2019-10-10 WO claimed