SCHEMBL8971858

SCHEMBL8971858

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

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.50
▸ CPA1 P15085 3/20 0.47
▸ CPA2 P48052 3/20 0.47
▸ CPA4 Q9UI42 3/20 0.47
▸ ANPEP P15144 1/20 0.45
▸ CPB1 P15086 1/20 0.43
▸ ACE2 Q9BYF1 1/20 0.43
▸ LTA4H P09960 1/20 0.43
▸ CTSL P07711 2/20 0.42
▸ CTSB P07858 2/20 0.42
▸ CTSS P25774 2/20 0.42
▸ CTSK P43235 2/20 0.42
▸ LPAR1 Q92633 1/20 0.41
▸ MME P08473 1/20 0.41

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
SCHEMBL9572284 0.79 ANPEP (0.46) ANPEPLTA4H
SCHEMBL6889341 0.75 LPAR1 (0.56) ANPEPLTA4HLPAR1MME
SCHEMBL27560040 0.75 LPAR1 (0.56) ANPEPLTA4HLPAR1MME
SCHEMBL8972229 0.75 ALDH1A1 (0.46) ALDH1A1
Levacetylleucine SCHEMBL8973550 0.73 ALDH1A1 (0.56) ALDH1A1CPA1CPA2CPA4ANPEP
SCHEMBL8972026 0.73 CTSK (0.58) CTSLCTSBCTSSCTSK
SCHEMBL2632695 0.72 CPA1 (0.62) ALDH1A1CPA1CPA2CPA4LTA4H
SCHEMBL24814127 0.71 SIGMAR1 (0.46) —
SCHEMBL2632703 0.71 CPA1 (0.61) ALDH1A1CPA1CPA2CPA4CPB1
SCHEMBL18775048 0.70 CTSK (0.60) ALDH1A1CTSLCTSBCTSSCTSK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0543310-B1 Dipeptide derivative and prophylactic and therapeutic agent for bone diseases containing the same SUNTORY LTD (JP) 1996-03-27 — — EP disclosed
US-5395824-A Dipeptide derivative and prophylactic and therapeutic agent for bone diseases containing the same SUNTORY LIMITED (JP) 1995-03-07 — — US disclosed
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