SCHEMBL31435690

SCHEMBL31435690

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 9/20 0.58
▸ CTSD P07339 1/20 0.54
▸ RAMP3 O60896 7/20 0.53
▸ CALCR P30988 7/20 0.53
▸ TRHR P34981 1/20 0.49
▸ APLNR P35414 1/20 0.49

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
SCHEMBL29463614 0.87 CAPN1 (0.48) RENRAMP3CALCRAPLNR
SCHEMBL17226098 0.83 REN (0.61) RENCTSDTRHR
SCHEMBL7849192 0.83 REN (0.65) RENCTSD
SCHEMBL7842935 0.83 REN (0.65) RENCTSD
SCHEMBL7852891 0.83 REN (0.65) RENCTSD
SCHEMBL29576210 0.80 CAPN1 (0.55) —
SCHEMBL4264574 0.80 LNPEP (0.58) RENCTSDTRHR
SCHEMBL11435650 0.79 REN (0.56) RENCTSDTRHR
SCHEMBL30455247 0.78 CAPN1 (0.52) —
SCHEMBL29396765 0.78 CAPN1 (0.52) —

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-119607204-A PD-L1@Fe-based alloy3O4@LPS tumor magnetocaloric therapeutic probe and preparation method and application thereof 北京航空航天大学 2025-03-14 — — CN disclosed
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