SCHEMBL28805500

SCHEMBL28805500

CC(N)C(=O)N(C(=O)OCc1ccccc1)C(C)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC15A1 P46059 2/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ SLC1A3 P43003 3/20 0.42
▸ SLC1A1 P43005 3/20 0.42
▸ SLC1A2 P43004 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ LTA4H P09960 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ CTSL P07711 1/20 0.40
▸ CTSB P07858 1/20 0.40
▸ CTSS P25774 1/20 0.40

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
SCHEMBL28805499 1.00 SLC15A1 (0.45) SLC15A1ALDH1A1SLC1A3SLC1A1SLC1A2
SCHEMBL27899925 0.89 ABCB1 (0.44) SLC15A1ALDH1A1KMT2AMEN1LTA4H
SCHEMBL8043863 0.88 ALDH1A1 (0.53) SLC15A1ALDH1A1KMT2AMAPK1L3MBTL1
SCHEMBL10954138 0.86 ACE (0.45) LTA4H
SCHEMBL11301781 0.84 SLC15A1 (0.42) SLC15A1ALDH1A1SLC1A3SLC1A1SLC1A2
SCHEMBL9131026 0.84 ALDH1A1 (0.43) SLC15A1ALDH1A1SLC1A3SLC1A1SLC1A2
SCHEMBL5494993 0.83 ALDH1A1 (0.47) SLC15A1ALDH1A1KMT2ALTA4HMAPK1
SCHEMBL28728547 0.82 SLC15A1 (0.48) SLC15A1ALDH1A1SLC1A3SLC1A1SLC1A2
SCHEMBL8020376 0.81 FOLH1 (0.41) SLC15A1ALDH1A1SLC1A3SLC1A1SLC1A2
SCHEMBL28546807 0.81 ALDH1A1 (0.49) SLC15A1ALDH1A1SLC1A3SLC1A1SLC1A2

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
CN-103073618-A Preparation method for benzyloxycarbonyl alanyl alanine GL BIOCHEM SHANGHAI LTD 2013-05-01 — — CN disclosed
CN-103073618-A Preparation method for benzyloxycarbonyl alanyl alanine GL BIOCHEM SHANGHAI LTD 2013-05-01 — — CN disclosed
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