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SCHEMBL21782058

SCHEMBL21782058

CCC(C)C(C(CC(=O)N1CCCC1C(OC)[C@@H](C)C(=O)NC(Cc1ccccc1)C(=O)NCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)CNC(=O)CCCN2CCC(C(N)=O)CC2C(F)(F)F)cc1)OC)N(C)C(=O)CNC=O

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.44
▸ FOLH1 Q04609 2/20 0.39
▸ TTR P02766 2/20 0.38
▸ AKT1 P31749 3/20 0.34
▸ SLC40A1 Q9NP59 5/20 0.32
▸ NECTIN4 Q96NY8 1/20 0.32
▸ OPRD1 P41143 1/20 0.31

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
SCHEMBL21781904 0.96 CYP3A4 (0.41) CYP3A4FOLH1TTRAKT1SLC40A1
SCHEMBL21781864 0.94 CYP3A4 (0.45) CYP3A4FOLH1TTRAKT1NECTIN4
SCHEMBL21781927 0.91 CYP3A4 (0.39) CYP3A4FOLH1TTRNECTIN4
SCHEMBL21781928 0.89 CYP3A4 (0.42) CYP3A4FOLH1TTRAKT1NECTIN4
SCHEMBL21781764 0.89 CYP3A4 (0.43) CYP3A4FOLH1TTRAKT1NECTIN4
SCHEMBL21781836 0.88 CYP3A4 (0.52) CYP3A4FOLH1TTRAKT1NECTIN4
SCHEMBL21782105 0.88 CYP3A4 (0.52) CYP3A4FOLH1TTRAKT1NECTIN4
SCHEMBL21781773 0.87 CYP3A4 (0.45) CYP3A4FOLH1TTRAKT1
SCHEMBL24136518 0.86 CYP3A4 (0.52) CYP3A4FOLH1TTRAKT1NECTIN4
SCHEMBL21782018 0.86 AKT1 (0.37) CYP3A4AKT1OPRD1

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