SCHEMBL8897470

SCHEMBL8897470

CC(CCc1ccccc1)C[C@H](OC(=O)N[C@H](C(=O)N(C)C)C(C)C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.43
CTSB P07858 3/20 0.43
CTSK P43235 3/20 0.43
CTSS P25774 1/20 0.43
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
HPGD P15428 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.37
CTSH P09668 1/20 0.37
LMNA P02545 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36

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
SCHEMBL8895311 0.91 CTSL (0.46) CTSLCTSBCTSKCTSSMMP9
SCHEMBL8896571 0.91 CTSL (0.46) CTSLCTSBCTSKCTSSMMP9
SCHEMBL8896188 0.86 CTSL (0.46) CTSLCTSBCTSKCTSS
SCHEMBL8896183 0.86 CTSL (0.46) CTSLCTSBCTSKCTSS
SCHEMBL8898668 0.80 CTSL (0.41) CTSLCTSBCTSKCTSSMEN1
SCHEMBL8895944 0.79 CTSL (0.45) CTSLCTSBCTSKCTSSMEN1
SCHEMBL8612045 0.78 FOLH1 (0.52) CTSLCTSBCTSKCTSSMMP9
SCHEMBL8612042 0.78 FOLH1 (0.52) CTSLCTSBCTSKCTSSMMP9
SCHEMBL8897466 0.77 CTSK (0.54) CTSLCTSBCTSKCTSSMMP9
SCHEMBL8897474 0.76 PPARG (0.36) MEN1KMT2ASMN1; SMN2HTTHPGD

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-5656604-A HYPOTENSIVE AGENT; ENDOTHELIN ANTAGONIST FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US disclosed