SCHEMBL30544299

SCHEMBL30544299

N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 2/20 0.53
▸ KISS1R Q969F8 3/20 0.48
▸ CTSL P07711 2/20 0.47
▸ CTSS P25774 2/20 0.47
▸ CTSK P43235 2/20 0.47
▸ CTSH P09668 1/20 0.47
▸ IL23R Q5VWK5 4/20 0.46
▸ F12 P00748 3/20 0.45
▸ SIRT5 Q9NXA8 1/20 0.45

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
SCHEMBL31001649 0.93 GHSR (0.57) GHSRKISS1RF12
SCHEMBL31606511 0.92 GHSR (0.59) GHSRKISS1R
SCHEMBL30866241 0.91 GHSR (0.62) GHSRKISS1R
SCHEMBL29674951 0.91 IL23R (0.52) GHSRCTSLCTSSCTSKCTSH
SCHEMBL29675015 0.91 IL23R (0.52) GHSRCTSLCTSSCTSKCTSH
SCHEMBL30978827 0.90 GHSR (0.55) GHSRIL23R
SCHEMBL30544310 0.89 GHSR (0.58) GHSRKISS1R
SCHEMBL29895432 0.89 GHSR (0.53) GHSR
SCHEMBL30866229 0.89 GHSR (0.67) GHSRKISS1R
SCHEMBL30711787 0.88 GHSR (0.53) GHSRKISS1RIL23RF12

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116716324-A Alkane degradation gene, protein and application thereof 山东省科学院生态研究所(山东省科学院中日友好生物技术研究中心) 2023-09-08 — — CN disclosed
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