SCHEMBL8105038

SCHEMBL8105038

C[C@@H]1CC(=O)CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 4/20 0.46
MMP3 P08254 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.45
HSD11B1 P28845 2/20 0.44
MMP2 P08253 2/20 0.43
ANPEP P15144 2/20 0.43
PSEN1 P49768 3/20 0.43
PSEN2 P49810 3/20 0.43
APH1B Q8WW43 3/20 0.43
NCSTN Q92542 3/20 0.43
APH1A Q96BI3 3/20 0.43
PSENEN Q9NZ42 3/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
GAA P10253 1/20 0.41
ACHE P22303 1/20 0.40

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
SCHEMBL2199891 0.82 MMP8 (0.44) MMP8MMP3MEN1KMT2AALDH1A1
SCHEMBL2199884 0.82 MMP8 (0.44) MMP8MMP3MEN1KMT2AALDH1A1
SCHEMBL2200359 0.81 MMP8 (0.47) MMP8MMP3MEN1KMT2AALDH1A1
SCHEMBL2200364 0.81 MMP8 (0.47) MMP8MMP3MEN1KMT2AALDH1A1
SCHEMBL5717036 0.74 HSD11B1 (0.74) MEN1KMT2AALDH1A1HSD11B1PSEN1
SCHEMBL6410896 0.72 HSD11B1 (0.48) MMP3MEN1KMT2AALDH1A1HSD11B1
SCHEMBL7991187 0.72 HSD11B1 (0.48) MMP3MEN1KMT2AALDH1A1HSD11B1
Hydrochloric Acid SCHEMBL309182 0.71 HSD11B1 (0.47) MMP3MEN1KMT2AALDH1A1HSD11B1
Hydrochloric Acid SCHEMBL308298 0.71 HSD11B1 (0.47) MMP3MEN1KMT2AALDH1A1HSD11B1
SCHEMBL2170723 0.69 HSD11B1 (0.49) HSD11B1

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-2152713-B1 PYRAZOLOPYRROLIDINES AS INHIBITORS OF GAMMA SECRETASE ELAN PHARM INC (US) 2011-09-07 EP disclosed
WO-2008147800-A1 PYRAZOLOPYRROLIDINES AS INHIBITORS OF GAMMA SECRETASE ELAN PHARMACEUTICALS, INC. (US) 2008-12-04 WO disclosed