SCHEMBL23253259

SCHEMBL23253259

Cc1ccccc(C)[nH]cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.50
TSHR P16473 2/20 0.50
LMNA P02545 1/20 0.50
ALOX12 P18054 1/20 0.50
TDP1 Q9NUW8 1/20 0.35
TRPA1 O75762 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
AHR P35869 1/20 0.33
ADK P55263 1/20 0.33
HPGD P15428 2/20 0.32
HMBS P08397 2/20 0.32
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
NFKB1 P19838 1/20 0.31

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
SCHEMBL28975482 0.78 FKBP5 (0.43) ACHETSHRLMNAALOX12TRPA1
SCHEMBL47202 0.77
M-Xylene SCHEMBL1419772 0.75 ACHE (0.57) ACHETDP1HPGDHMBSNPC1
Hydrogen Sulfide SCHEMBL29094906 0.75
SCHEMBL27869458 0.75
SCHEMBL27859705 0.75
Bromide SCHEMBL15820960 0.75
SCHEMBL29278232 0.75
SCHEMBL28875380 0.75
Water SCHEMBL28190991 0.75

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
EP-3380120-B1 IMMUNOSTIMULATORY COMPOSITIONS HOPITAUX PARIS ASSIST PUBLIQUE (FR) 2021-04-21 EP disclosed