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SCHEMBL21781869

SCHEMBL21781869

CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)NC(Cc1ccccc1)C(=O)NCc1ccc(NC(=O)C(CCCNC(N)=O)NC(=O)CNC(=O)COCCOCCOCC(=O)N2CCC(C(=O)Oc3c(F)c(F)c(F)c(F)c3F)CC2C)cc1)OC)N(C)C(=O)CNC(=O)C(C(C)C)N(C)C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.40
▸ FOLH1 Q04609 3/20 0.40
▸ TTR P02766 2/20 0.37
▸ AKT1 P31749 3/20 0.34
▸ SSTR2 P30874 2/20 0.32
▸ CCKAR P32238 1/20 0.31
▸ CCKBR P32239 1/20 0.31
▸ OPRD1 P41143 1/20 0.30
▸ NMUR2 Q9GZQ4 1/20 0.30
▸ NMUR1 Q9HB89 1/20 0.30

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
SCHEMBL21781949 0.94 CYP3A4 (0.43) CYP3A4FOLH1TTRAKT1SSTR2
SCHEMBL22068446 0.92 CYP3A4 (0.47) CYP3A4FOLH1TTRAKT1SSTR2
SCHEMBL21781743 0.92 CYP3A4 (0.47) CYP3A4FOLH1TTRAKT1SSTR2
SCHEMBL21781745 0.91 CYP3A4 (0.39) CYP3A4FOLH1TTRAKT1SSTR2
SCHEMBL22068565 0.91 CYP3A4 (0.47) CYP3A4FOLH1TTRAKT1SSTR2
SCHEMBL21782096 0.91 CYP3A4 (0.47) CYP3A4FOLH1TTRAKT1SSTR2
SCHEMBL21781997 0.90 CYP3A4 (0.45) CYP3A4FOLH1TTRAKT1SSTR2
SCHEMBL21781950 0.89 CYP3A4 (0.46) CYP3A4FOLH1TTRAKT1SSTR2
SCHEMBL21782122 0.88 CYP3A4 (0.43) CYP3A4FOLH1TTRAKT1SSTR2
SCHEMBL22068142 0.87 CYP3A4 (0.48) 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