SCHEMBL31456804

SCHEMBL31456804

CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1cc(C(CCC2CC2)(N[S@+]([O-])C(C)(C)C)c2ccncc2)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 17/20 0.47
▸ POLB P06746 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ APOBEC3A P31941 1/20 0.33
▸ APOBEC3G Q9HC16 1/20 0.33

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
SCHEMBL20584253 1.00 KLKB1 (0.47) KLKB1POLBCYP1A2CYP3A4CYP2C19
SCHEMBL31456797 0.94 KLKB1 (0.54) KLKB1POLBCYP1A2CYP3A4CYP2C19
SCHEMBL20584327 0.94 KLKB1 (0.54) KLKB1POLBCYP1A2CYP3A4CYP2C19
SCHEMBL31456774 0.94 KLKB1 (0.54) KLKB1POLBCYP1A2CYP3A4CYP2C19
SCHEMBL24569889 0.94 KLKB1 (0.54) KLKB1POLBCYP1A2CYP3A4CYP2C19
SCHEMBL24012038 0.94 KLKB1 (0.54) KLKB1POLBCYP1A2CYP3A4CYP2C19
SCHEMBL20584510 0.94 KLKB1 (0.54) KLKB1POLBCYP1A2CYP3A4CYP2C19
SCHEMBL20446583 0.94 KLKB1 (0.54) KLKB1POLBCYP1A2CYP3A4CYP2C19
SCHEMBL20584547 0.92 KLKB1 (0.46) KLKB1POLBCYP1A2CYP3A4CYP2C19
SCHEMBL20446608 0.92 KLKB1 (0.46) KLKB1POLBCYP1A2CYP3A4CYP2C19

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-114591212-B Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2025-01-28 — — CN disclosed
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