SCHEMBL17689397

SCHEMBL17689397

CC1(S(=O)(=O)c2ccc(Cl)cc2)CCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 1/20 0.60
PSEN1 P49768 6/20 0.50
PSEN2 P49810 6/20 0.50
APH1B Q8WW43 6/20 0.50
NCSTN Q92542 6/20 0.50
APH1A Q96BI3 6/20 0.50
PSENEN Q9NZ42 6/20 0.50
ALDH1A1 P00352 3/20 0.45
CYP3A4 P08684 2/20 0.45
MAPK1 P28482 1/20 0.45
PTGS2 P35354 3/20 0.44
PTGS1 P23219 2/20 0.44
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA3 P07451 3/20 0.42
CA4 P22748 3/20 0.42
CA6 P23280 3/20 0.42

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
SCHEMBL2760213 0.96 EEF2K (0.60) EEF2KPSEN1PSEN2APH1BNCSTN
SCHEMBL14544487 0.82 SMN1; SMN2 (0.63) ALDH1A1CYP3A4PTGS2PTGS1KMT2A
SCHEMBL14227519 0.77 EEF2K (0.55) EEF2KPSEN1PSEN2APH1BNCSTN
SCHEMBL17689396 0.77 PTGS2 (0.47) ALDH1A1PTGS2PTGS1CA1CA2
SCHEMBL14242974 0.77 EEF2K (0.55) EEF2KPSEN1PSEN2APH1BNCSTN
SCHEMBL19558567 0.74 SMN1; SMN2 (0.62) ALDH1A1CYP3A4PTGS2PTGS1KMT2A
SCHEMBL1463591 0.73 EEF2K (0.55) EEF2KPSEN1PSEN2APH1BNCSTN
SCHEMBL16099469 0.72 CA2 (0.45) EEF2KALDH1A1MAPK1KMT2ASMN1; SMN2
SCHEMBL1783083 0.69 EEF2K (0.50) EEF2KPSEN1PSEN2APH1BNCSTN
SCHEMBL11639128 0.69 EEF2K (0.50) EEF2KPSEN1PSEN2APH1BNCSTN

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-9315454-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-19 US disclosed