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SCHEMBL21781885

SCHEMBL21781885

CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)NCC(=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 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 3/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ TTR P02766 2/20 0.34
▸ SSTR2 P30874 2/20 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
SCHEMBL21781961 0.91 CYP3A4 (0.46) FOLH1CYP3A4TTRSSTR2
SCHEMBL21781872 0.91 CYP3A4 (0.46) FOLH1CYP3A4TTRSSTR2
SCHEMBL24136561 0.91 CYP3A4 (0.46) FOLH1CYP3A4TTRSSTR2
SCHEMBL21781842 0.88 CYP3A4 (0.47) FOLH1CYP3A4TTRSSTR2
SCHEMBL21782082 0.87 CYP3A4 (0.45) FOLH1CYP3A4TTRSSTR2
SCHEMBL21781868 0.86 CYP3A4 (0.45) FOLH1CYP3A4TTRSSTR2
SCHEMBL24136571 0.86 CYP3A4 (0.46) FOLH1CYP3A4TTRSSTR2
SCHEMBL21781997 0.85 CYP3A4 (0.45) FOLH1CYP3A4TTRSSTR2
SCHEMBL24136516 0.83 CYP3A4 (0.51) FOLH1CYP3A4TTRSSTR2
SCHEMBL21781773 0.83 CYP3A4 (0.45) FOLH1CYP3A4TTRSSTR2

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