SCHEMBL8714660

SCHEMBL8714660

CCc1cc(OC)ccc1S(=O)(=O)N(c1cccc(OC)c1)N1CCC(C(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.53
LMNA P02545 3/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.47
DRD2 P14416 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
CYP1A2 P05177 1/20 0.44
GAA P10253 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
GLA P06280 1/20 0.42
MAPK1 P28482 1/20 0.42
PKM P14618 1/20 0.42
MGLL Q99685 1/20 0.42
KMT2A Q03164 2/20 0.42
SLC18A3 Q16572 2/20 0.41

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
Oxalic Acid SCHEMBL8711105 0.98 HSD11B1 (0.51) HSD11B1LMNAALDH1A1SMN1; SMN2HTT
SCHEMBL8713779 0.85 HSD11B1 (0.45) HSD11B1LMNAALDH1A1SMN1; SMN2HTT
SCHEMBL8714652 0.79 HSD11B1 (0.52) HSD11B1LMNAALDH1A1SMN1; SMN2HTT
Oxalic Acid SCHEMBL8711100 0.77 HSD11B1 (0.50) HSD11B1LMNAALDH1A1SMN1; SMN2HTT
SCHEMBL9232037 0.75 HSD11B1 (0.53) HSD11B1LMNAALDH1A1SMN1; SMN2HTT
Oxalic Acid SCHEMBL9230036 0.73 HSD11B1 (0.51) HSD11B1LMNAALDH1A1SMN1; SMN2HTT
SCHEMBL8712620 0.71 HSD11B1 (0.52) HSD11B1LMNAALDH1A1SMN1; SMN2HTT
SCHEMBL8714655 0.70 HSD11B1 (0.50) HSD11B1LMNAALDH1A1SMN1; SMN2HTT
SCHEMBL8712275 0.70 HSD11B1 (0.54) HSD11B1LMNAALDH1A1SMN1; SMN2HTT
SCHEMBL8807677 0.70 HSD11B1 (0.57) HSD11B1LMNAALDH1A1SMN1; SMN2HTT

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-5728835-A HYPOTENSIVE AGENTS; ANTIISCHEMIC AGENTS TOA EIYO, LTD. (JP) 1998-03-17 US disclosed