SCHEMBL8690341

SCHEMBL8690341

C[C@H](Nc1ccc(C(=O)C2CNCCO2)cc1)C(=O)N[C@@H](CCc1ccccc1)CS(=O)(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.39
MMP1 P03956 3/20 0.34
MMP2 P08253 3/20 0.34
MMP3 P08254 3/20 0.34
MMP9 P14780 3/20 0.34
MMP8 P22894 3/20 0.34
CTSK P43235 2/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
GHSR Q92847 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PSMB5 P28074 1/20 0.32

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
SCHEMBL8696255 0.75 SSTR4 (0.37) SSTR4CTSLCTSBALDH1A1PSMB5
SCHEMBL27380021 0.75 SSTR4 (0.38) SSTR4MEN1KMT2AHTTSMN1; SMN2
SCHEMBL7412395 0.74 SSTR4 (0.36) SSTR4
SCHEMBL8696045 0.72 CA2 (0.38) SSTR4MMP2CTSKCTSLCTSB
SCHEMBL7414221 0.72 CA2 (0.38) SSTR4MMP2CTSKCTSLCTSB
SCHEMBL7411057 0.72 CTSC (0.37) SSTR4GHSRCTSC
Hydrochloric Acid SCHEMBL7405421 0.72 CTSC (0.37) SSTR4CTSKCTSBGHSRCTSC
SCHEMBL7358329 0.71 CTSK (0.46) CTSKCTSLCTSBCTSC
SCHEMBL8159878 0.71 CTSC (0.36) SSTR4MMP2CTSKCTSLCTSB
SCHEMBL7349455 0.70 CTSB (0.56) CTSKCTSLCTSBCTSC

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-5776718-A Reversible protease inhibitors ARRIS PHARMACEUTICAL CORPORATION (US) 1998-07-07 US disclosed