SCHEMBL11146459

SCHEMBL11146459

O=C(N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(Cc1ccccc1)C(=O)O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 4/20 0.61
▸ ECE1 P42892 3/20 0.61
▸ ACE P12821 3/20 0.56
▸ ITGB3 P05106 4/20 0.53
▸ ITGA2B P08514 4/20 0.53
▸ TACR1 P25103 2/20 0.52
▸ CTSL P07711 2/20 0.52
▸ CTSB P07858 2/20 0.52
▸ CTSS P25774 2/20 0.52
▸ CTSK P43235 2/20 0.52
▸ CASP3 P42574 1/20 0.51
▸ CASP7 P55210 1/20 0.51

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
SCHEMBL11148538 0.95 MME (0.58) MMEECE1ITGB3ITGA2BTACR1
SCHEMBL11211146 0.92 TSHR (0.57) MMEECE1ACETACR1CTSL
SCHEMBL28252140 0.89 ECE1 (0.64) MMEECE1ACECTSLCTSB
SCHEMBL8612642 0.89 ECE1 (0.64) MMEECE1ACECTSLCTSB
SCHEMBL10986547 0.88 MME (0.52) MMEECE1TACR1CTSLCTSB
SCHEMBL6271137 0.88 CASP3 (0.64) MMEECE1ACECTSLCTSB
SCHEMBL10934632 0.87 ALDH1A1 (0.57) TACR1CTSLCTSBCTSSCTSK
SCHEMBL8761906 0.87 CTSL (0.52) MMEECE1TACR1CTSLCTSB
SCHEMBL10727026 0.87 MME (0.67) MMEECE1ITGB3ITGA2BTACR1
SCHEMBL20678118 0.87 MME (0.67) MMEECE1ITGB3ITGA2BTACR1

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
US-4394308-A Method of producing α-L-aspartyl-L-phenylalanine methylesters CHIMICASA GMBH (CH) 1983-07-19 — — US disclosed
US-4333872-A Method of producing α-L-aspartyl-L-phenylalanine methylester CHIMICASA GMBH (CH) 1982-06-08 — — US disclosed
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