SCHEMBL29743008

SCHEMBL29743008

C[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.56
▸ CTSS P25774 3/20 0.56
▸ CTSK P43235 3/20 0.56
▸ CTSH P09668 1/20 0.56
▸ EPHA2 P29317 2/20 0.53
▸ C5AR1 P21730 1/20 0.53
▸ NPY2R P49146 7/20 0.53
▸ NPY4R P50391 7/20 0.53
▸ NPY5R Q15761 7/20 0.53
▸ NPY1R P25929 5/20 0.53
▸ MAPK8 P45983 1/20 0.52
▸ MAPK9 P45984 1/20 0.52
▸ MAPK10 P53779 1/20 0.52
▸ CALCR P30988 5/20 0.52
▸ RAMP3 O60896 4/20 0.52

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
SCHEMBL29697219 0.91 CALCRL (0.55) CTSLCTSSCTSKCTSHCALCR
SCHEMBL30883275 0.89 CALCR (0.62) CTSLCTSSCTSKCTSHNPY2R
SCHEMBL30974054 0.87 CALCRL (0.56) CTSLCTSSCTSKCTSHEPHA2
SCHEMBL29697039 0.87 EPHA2 (0.58) EPHA2C5AR1MAPK8MAPK9MAPK10
SCHEMBL30903277 0.86 C5AR1 (0.65) CTSLCTSSCTSKCTSHEPHA2
SCHEMBL30974445 0.86 CALCRL (0.55) CTSLCTSSCTSKCTSHEPHA2
SCHEMBL30423484 0.86 GLP1R (0.60) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30262190 0.85 APLNR (0.53) CTSLCTSSCTSKCTSHMAPK8
SCHEMBL29823435 0.85 NPY2R (0.55) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL30974077 0.85 EPHA2 (0.57) CTSLCTSSCTSKCTSHEPHA2

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-11851664-B2 Methods for producing biochemicals using enzyme genes derived from a strain of Brevundimonas, and compositions made thereby Oakbio, Inc. (US) 2023-12-26 — — US disclosed
US-20220204979-A1 METHODS FOR PRODUCING BIOCHEMICALS USING ENZYME GENES DERIVED FROM A STRAIN OF BREVUNDIMONAS, AND COMPOSITIONS MADE THEREBY ARCOLOGY INC. (DBA BIOSPHERE) 2022-06-30 — — US disclosed
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