SCHEMBL12758196

SCHEMBL12758196

CCCCCCCCN1CCCC1=CC=C(C(C)=O)S(=O)(=O)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ CNR1 P21554 2/20 0.34
▸ ADRB2 P07550 4/20 0.34
▸ ADRB1 P08588 4/20 0.34
▸ ADRB3 P13945 4/20 0.34
▸ HTT P42858 1/20 0.33
▸ EPHX2 P34913 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
SCHEMBL12758195 0.77 CHRM2 (0.37) CHRM3
SCHEMBL12758198 0.74 KCNH2 (0.35) CHRM3KCNH2ADRB2ADRB1ADRB3
SCHEMBL12758197 0.70 TSHR (0.35) CHRM3KCNH2
SCHEMBL12758193 0.68 CHRM2 (0.39) CHRM3
SCHEMBL12755422 0.65 MAPT (0.45) HTT
Acetic Acid SCHEMBL30330046 0.64 INMT (0.38) HTT
SCHEMBL12758190 0.64 MAPK1 (0.33) HTT
SCHEMBL12101246 0.64 MAPK1 (0.33) HTT
Acetic Acid SCHEMBL30330055 0.63 CCR5 (0.35) —
Bicarbonate SCHEMBL3275476 0.63 KMT2A (0.49) —

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-20110057155-A1 ULTRAVIOLET ABSORBENT COMPOSITION FUJIFILM CORPORATION (JP) 2011-03-10 — — US disclosed
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