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Sugi Predict / Compounds / SCHEMBL30544642

SCHEMBL30544642

SCHEMBL30544642

CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 5/20 0.56
▸ GRB2 P62993 3/20 0.56
▸ MME P08473 3/20 0.53
▸ ACE P12821 3/20 0.53
▸ CPA1 P15085 3/20 0.53
▸ ACE2 Q9BYF1 3/20 0.53
▸ BACE1 P56817 5/20 0.51
▸ KISS1R Q969F8 2/20 0.48

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
SCHEMBL30655941 0.92 CTSD (0.57) CTSDMMEACECPA1ACE2
SCHEMBL30646465 0.91 CTSD (0.52) CTSDGRB2MMEACECPA1
SCHEMBL30051590 0.91 ACE (0.64) CTSDMMEACECPA1ACE2
SCHEMBL29416012 0.90 KISS1R (0.57) CTSDBACE1KISS1R
SCHEMBL29530803 0.90 BACE1 (0.56) CTSDBACE1
SCHEMBL30799266 0.89 CTSD (0.56) CTSDGRB2MMEACECPA1
SCHEMBL30039627 0.89 BACE1 (0.57) CTSDGRB2MMEACECPA1
SCHEMBL30123005 0.89 BACE1 (0.51) CTSDMMEBACE1KISS1R
SCHEMBL31307223 0.88 BACE1 (0.63) CTSDBACE1KISS1R
SCHEMBL31256974 0.88 OPRD1 (0.55) GRB2MMEACECPA1ACE2

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-113480633-B Preparation method of tidulcin 成都诺和晟泰生物科技有限公司 2023-08-25 — — CN disclosed
CN-113480633-B Preparation method of tidulcin 成都诺和晟泰生物科技有限公司 2023-08-25 — — CN disclosed
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