SCHEMBL29871228

SCHEMBL29871228

CC[C@H](N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 1/20 0.38
▸ ENPEP Q07075 10/20 0.36
▸ CTSC P53634 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CTSH P09668 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ PRSS1 P07477 1/20 0.35
▸ TMPRSS15 P98073 1/20 0.35
▸ GNPAT O15228 1/20 0.34

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
SCHEMBL30859432 0.92 MME (0.40) MMEENPEPGNPAT
SCHEMBL30477912 0.92 MME (0.40) MMEENPEPGNPAT
SCHEMBL29871214 0.91 PRSS1 (0.37) MMEENPEPCTSCCTSHCTSK
SCHEMBL30477911 0.91 MME (0.39) MMEENPEPGNPAT
SCHEMBL3744354 0.91 CTSC (0.39) MMECTSCCYP1A2CYP3A4CTSH
SCHEMBL29391135 0.90 MME (0.39) MMEENPEPGNPAT
SCHEMBL29871201 0.89 ENPEP (0.38) MMEENPEPGNPAT
SCHEMBL29883969 0.89 MME (0.40) MME
SCHEMBL29871340 0.89 MME (0.39) MMEENPEPGNPAT
SCHEMBL30798035 0.89 MME (0.41) MMEENPEPGNPAT

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-114945579-B Heme derivative and preparation method and application thereof 吉林省澳宇生物科技有限公司 2025-01-21 — — CN disclosed
CN-114945579-A Heme derivatives, their preparation and use 吉林省澳宇生物科技有限公司 2022-08-26 — — CN disclosed
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