SCHEMBL23390096

SCHEMBL23390096

C=CS(=O)(=O)N1CC[C@@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)C1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LIPE Q05469 1/20 0.66
▸ MAPT P10636 5/20 0.62
▸ TP53 P04637 3/20 0.62
▸ SMN1; SMN2 Q16637 3/20 0.62
▸ EPHX2 P34913 7/20 0.61
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ HTT P42858 2/20 0.57
▸ LMNA P02545 1/20 0.57
▸ EPHX1 P07099 2/20 0.49
▸ POLB P06746 1/20 0.48

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
SCHEMBL23390142 0.94 MAPT (0.67) LIPEMAPTTP53SMN1; SMN2EPHX2
SCHEMBL23390093 0.88 LIPE (0.54) LIPEMAPTTP53SMN1; SMN2EPHX2
SCHEMBL23390133 0.84 LIPE (0.65) LIPEMAPTTP53SMN1; SMN2EPHX2
SCHEMBL23390161 0.82 FAAH (0.60) MAPTTP53SMN1; SMN2EPHX2MEN1
SCHEMBL23390171 0.82 ALDH1A1 (0.49) MAPTSMN1; SMN2MEN1KMT2AHTT
SCHEMBL23390080 0.81 LIPE (0.54) LIPEMAPTTP53SMN1; SMN2EPHX2
SCHEMBL23390083 0.81 LIPE (0.54) LIPEMAPTTP53SMN1; SMN2EPHX2
SCHEMBL23390117 0.81 LIPE (0.54) LIPEMAPTTP53SMN1; SMN2EPHX2
SCHEMBL23390210 0.81 MAPT (0.48) LIPEMAPTTP53SMN1; SMN2MEN1
SCHEMBL23390103 0.81 LIPE (0.57) LIPEMAPTTP53SMN1; SMN2EPHX2

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
WO-2021102299-A1 CASPASE 6 INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-05-27 — — WO disclosed
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