Sugi Predict

Sugi Predict / Compounds / SCHEMBL30608997

SCHEMBL30608997

SCHEMBL30608997

C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(N)=O)[C@@H](C)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.52
▸ CTSS P25774 3/20 0.52
▸ CTSK P43235 3/20 0.52
▸ CTSH P09668 1/20 0.52
▸ KISS1R Q969F8 3/20 0.49
▸ IL23R Q5VWK5 2/20 0.49
▸ NPBWR1 P48145 2/20 0.46
▸ KEAP1 Q14145 1/20 0.46
▸ GLP1R P43220 2/20 0.45
▸ TUBB4A P04350 1/20 0.45
▸ TUBB P07437 1/20 0.45
▸ TUBA3C P0DPH7 1/20 0.45
▸ TUBA1B P68363 1/20 0.45
▸ TUBA4A P68366 1/20 0.45
▸ TUBB4B P68371 1/20 0.45
▸ TUBB3 Q13509 1/20 0.45
▸ TUBB2A Q13885 1/20 0.45
▸ TUBB8 Q3ZCM7 1/20 0.45
▸ TUBA3E Q6PEY2 1/20 0.45
▸ TUBA1A Q71U36 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
SCHEMBL30609004 0.94 PRKACB (0.51) KISS1RIL23RNPBWR1
SCHEMBL30609006 0.89 CTSL (0.64) CTSLCTSSCTSKCTSHKISS1R
SCHEMBL30609002 0.89 CTSL (0.64) CTSLCTSSCTSKCTSHKISS1R
SCHEMBL17979807 0.89 KISS1R (0.54) CTSLCTSSCTSKCTSHKISS1R
SCHEMBL29670416 0.88 CTSL (0.50) CTSLCTSSCTSKCTSHIL23R
SCHEMBL30577311 0.86 CTSL (0.61) CTSLCTSSCTSKCTSHKISS1R
SCHEMBL30093066 0.86 C5AR1 (0.53) CTSLCTSSCTSKCTSHKISS1R
SCHEMBL30093064 0.86 C5AR1 (0.53) CTSLCTSSCTSKCTSHKISS1R
SCHEMBL17979791 0.86 KISS1R (0.61) KISS1RIL23RNPBWR1GLP1RTUBB4A
SCHEMBL29862209 0.85 KISS1R (0.61) CTSLCTSSCTSKCTSHKISS1R

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
WO-2023169550-A1 POLYPEPTIDE COMPOUND FOR PREVENTING AND/OR TREATING RENAL FIBROSIS 中山大学 2023-09-14 — — WO claimed
WO-2023169550-A1 POLYPEPTIDE COMPOUND FOR PREVENTING AND/OR TREATING RENAL FIBROSIS 中山大学 2023-09-14 — — WO disclosed
Send feedback