SCHEMBL11568337

SCHEMBL11568337

N#C[C@H]1CC[C@H](CNC(=O)OCc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.53
ALDH1A1 P00352 3/20 0.48
CTSL P07711 2/20 0.48
CTSB P07858 2/20 0.48
CTSK P43235 2/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
F13A1 P00488 1/20 0.48
TGM2 P21980 1/20 0.48
TGM1 P22735 1/20 0.48
CTSS P25774 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL8393648 0.89 LMNA (0.58) PREPALDH1A1LMNASMN1; SMN2F13A1
SCHEMBL9260332 0.88 ALDH1A1 (0.49) PREPALDH1A1LMNASMN1; SMN2F13A1
SCHEMBL6601889 0.88 ALDH1A1 (0.49) PREPALDH1A1LMNASMN1; SMN2F13A1
SCHEMBL30732657 0.87 ALDH1A1 (0.49) PREPALDH1A1LMNASMN1; SMN2F13A1
SCHEMBL29652185 0.84 LMNA (0.52) ALDH1A1LMNASMN1; SMN2F13A1TGM2
SCHEMBL14451403 0.84 LMNA (0.52) ALDH1A1LMNASMN1; SMN2F13A1TGM2
SCHEMBL8029231 0.84 ALDH1A1 (0.61) PREPALDH1A1LMNASMN1; SMN2F13A1
SCHEMBL8395084 0.84 ALDH1A1 (0.58) PREPALDH1A1LMNASMN1; SMN2F13A1
SCHEMBL3947244 0.83 LMNA (0.51) ALDH1A1LMNASMN1; SMN2F13A1TGM2
SCHEMBL14009946 0.83 LMNA (0.51) ALDH1A1LMNASMN1; SMN2F13A1TGM2

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
EP-0001774-A1 Derivatives of BPTI (basic pancreatic trypsin-inhibitor), process for their preparation and their use as medicines BAYER AG (DE) 1979-05-16 EP disclosed