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Sugi Predict / Compounds / SCHEMBL31041731

SCHEMBL31041731

SCHEMBL31041731

NCCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SLC15A2 Q16348 1/20 0.38
▸ C5AR1 P21730 2/20 0.36
▸ CALCR P30988 4/20 0.36
▸ APLNR P35414 2/20 0.36
▸ NMT2 O60551 1/20 0.35
▸ NMT1 P30419 1/20 0.35
▸ UTS2R Q9UKP6 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
SCHEMBL31041733 1.00 SLC15A2 (0.38) SLC15A2C5AR1CALCRAPLNRNMT2
SCHEMBL31041679 0.95 SLC15A2 (0.37) SLC15A2C5AR1CALCRAPLNRNMT2
SCHEMBL31041750 0.93 CALCR (0.39) SLC15A2C5AR1CALCRAPLNRNMT2
SCHEMBL31041694 0.92 SLC15A2 (0.41) SLC15A2C5AR1APLNR
SCHEMBL31041699 0.92 SLC15A2 (0.41) SLC15A2C5AR1APLNR
SCHEMBL29589137 0.91 SLC15A2 (0.44) SLC15A2
SCHEMBL31041745 0.91 APLNR (0.36) C5AR1CALCRAPLNR
SCHEMBL31041714 0.90 APLNR (0.34) C5AR1CALCRAPLNR
SCHEMBL31041739 0.90 EED (0.38) C5AR1CALCRAPLNR
SCHEMBL11119588 0.89 IL23R (0.44) CALCRUTS2R

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-118184747-A Polypeptide with breast cancer resisting activity and application thereof 苏州青锐生物科技有限公司 2024-06-14 — — CN disclosed
CN-118184747-A Polypeptide with breast cancer resisting activity and application thereof 苏州青锐生物科技有限公司 2024-06-14 — — CN disclosed
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