SCHEMBL8895944

SCHEMBL8895944

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.45
CTSB P07858 2/20 0.45
CTSS P25774 2/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 1/20 0.44
ACE P12821 2/20 0.42
ANPEP P15144 1/20 0.42
CASP3 P42574 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
CTSK P43235 1/20 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
TSHR P16473 1/20 0.38
MME P08473 1/20 0.38
CPA1 P15085 1/20 0.38
ACE2 Q9BYF1 1/20 0.38

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
SCHEMBL8898668 0.88 CTSL (0.41) CTSLCTSBCTSSMEN1KMT2A
SCHEMBL8898177 0.87 ALDH1A1 (0.45) CTSLCTSBCTSSMEN1KMT2A
SCHEMBL8896571 0.87 CTSL (0.46) CTSLCTSBCTSSMEN1KMT2A
SCHEMBL8895311 0.87 CTSL (0.46) CTSLCTSBCTSSMEN1KMT2A
SCHEMBL8895815 0.84 DPP4 (0.45) CTSLCTSBCTSSMEN1KMT2A
SCHEMBL8614503 0.79 FOLH1 (0.50) CTSLCTSBCTSSMEN1KMT2A
SCHEMBL8897470 0.79 CTSL (0.43) CTSLCTSBCTSSMEN1KMT2A
SCHEMBL8897280 0.78 PPARG (0.45) MEN1KMT2ASMN1; SMN2CYP2C9CYP2C19
SCHEMBL8897285 0.78 PPARG (0.45) MEN1KMT2ASMN1; SMN2CYP2C9CYP2C19
SCHEMBL8895941 0.78 CTSB (0.56) CTSLCTSBCTSSMEN1KMT2A

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