SCHEMBL8896571

SCHEMBL8896571

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.46
CTSB P07858 2/20 0.46
CTSS P25774 2/20 0.46
CTSK P43235 1/20 0.46
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ACE P12821 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
ANPEP P15144 1/20 0.36
HTT P42858 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 1.00 CTSL (0.46) CTSLCTSBCTSSCTSKMEN1
SCHEMBL8897470 0.91 CTSL (0.43) CTSLCTSBCTSSCTSKMEN1
SCHEMBL8898668 0.88 CTSL (0.41) CTSLCTSBCTSSCTSKMEN1
SCHEMBL8895944 0.87 CTSL (0.45) CTSLCTSBCTSSCTSKMEN1
SCHEMBL8896188 0.83 CTSL (0.46) CTSLCTSBCTSSCTSKANPEP
SCHEMBL8896183 0.83 CTSL (0.46) CTSLCTSBCTSSCTSKANPEP
SCHEMBL8895815 0.82 DPP4 (0.45) CTSLCTSBCTSSCTSKMEN1
SCHEMBL8898177 0.80 ALDH1A1 (0.45) CTSLCTSBCTSSMEN1KMT2A
SCHEMBL8613294 0.80 FOLH1 (0.49) CTSLCTSBCTSSCTSKMEN1
SCHEMBL8613767 0.80 FOLH1 (0.49) CTSLCTSBCTSSCTSKMEN1

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