SCHEMBL29770069

SCHEMBL29770069

CC(C)C[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCC(=O)O)[C@@H](C)O

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.63
▸ IL23R Q5VWK5 12/20 0.62
▸ KEAP1 Q14145 1/20 0.61
▸ OPRM1 P35372 1/20 0.57
▸ OPRD1 P41143 1/20 0.57
▸ OPRK1 P41145 1/20 0.57

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
SCHEMBL30385132 0.96 TFPI (0.63) TFPIIL23RKEAP1OPRM1OPRD1
SCHEMBL29539873 0.91 NPY4R (0.62) IL23ROPRM1OPRD1OPRK1
SCHEMBL29517084 0.90 OPRK1 (0.59) TFPIIL23ROPRD1OPRK1
Dynorphin B SCHEMBL30415641 0.89 TFPI (0.65) TFPIIL23RKEAP1OPRM1OPRD1
SCHEMBL30358048 0.89 IL23R (0.58) TFPIIL23RKEAP1
SCHEMBL30429246 0.89 TFPI (0.61) TFPIIL23RKEAP1
SCHEMBL14588774 0.88 TFPI (0.60) TFPIIL23RKEAP1OPRM1OPRD1
SCHEMBL29430569 0.88 TFPI (0.70) TFPIIL23R
SCHEMBL30883265 0.88 TFPI (0.66) TFPIKEAP1OPRM1OPRD1OPRK1
SCHEMBL30116708 0.88 VIPR2 (0.60) TFPIIL23RKEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114748604-B Compound for bone marrow damage and/or inhibition 四川大学 2023-04-07 — — CN claimed
CN-113134114-B Anti-infection coating capable of being constructed immediately in operation and preparation method and application thereof 中国人民解放军总医院第八医学中心 2022-12-02 — — CN disclosed
CN-114748604-A Compound for bone marrow damage and/or inhibition 四川大学 2022-07-15 — — CN disclosed
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