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SCHEMBL21781872

SCHEMBL21781872

CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)NC(Cc1ccccc1)C(=O)NCc1ccc(NC(=O)C(CCCNC(N)=O)NC)cc1)OC)N(C)C(=O)CNC(=O)C(C(C)C)N(C)C

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.46
▸ FOLH1 Q04609 3/20 0.42
▸ TTR P02766 2/20 0.38
▸ AKT1 P31749 3/20 0.37
▸ SSTR2 P30874 2/20 0.35
▸ REN P00797 1/20 0.33
▸ CTSD P07339 1/20 0.33
▸ CTSE P14091 1/20 0.33
▸ BACE1 P56817 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
SCHEMBL21781961 1.00 CYP3A4 (0.46) CYP3A4FOLH1TTRAKT1SSTR2
SCHEMBL24136561 1.00 CYP3A4 (0.46) CYP3A4FOLH1TTRAKT1SSTR2
SCHEMBL21781842 0.96 CYP3A4 (0.47) CYP3A4FOLH1TTRAKT1SSTR2
SCHEMBL21781868 0.95 CYP3A4 (0.45) CYP3A4FOLH1TTRAKT1SSTR2
SCHEMBL24136571 0.95 CYP3A4 (0.46) CYP3A4FOLH1TTRAKT1SSTR2
SCHEMBL21782082 0.93 CYP3A4 (0.45) CYP3A4FOLH1TTRSSTR2CTSD
SCHEMBL24136516 0.93 CYP3A4 (0.51) CYP3A4FOLH1TTRAKT1SSTR2
SCHEMBL21781997 0.92 CYP3A4 (0.45) CYP3A4FOLH1TTRAKT1SSTR2
SCHEMBL21781773 0.92 CYP3A4 (0.45) CYP3A4FOLH1TTRAKT1SSTR2
SCHEMBL22618766 0.91 CYP3A4 (0.42) CYP3A4FOLH1TTRAKT1SSTR2

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
EP-3617221-A1 CYTOTOXIN AND CONJUGATE, USES OF SAME, AND PREPARATION METHOD THEREFOR Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2020-03-04 — — EP disclosed