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SCHEMBL21782082

SCHEMBL21782082

CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)NC(Cc1ccccc1)C(=O)N(C)Cc1ccc(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 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.45
▸ FOLH1 Q04609 3/20 0.43
▸ TTR P02766 2/20 0.38
▸ SSTR2 P30874 2/20 0.36
▸ TACR1 P25103 10/20 0.36
▸ 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
SCHEMBL24136552 0.95 CYP3A4 (0.45) CYP3A4FOLH1TTRSSTR2TACR1
SCHEMBL21781872 0.93 CYP3A4 (0.46) CYP3A4FOLH1TTRSSTR2CTSD
SCHEMBL21781961 0.93 CYP3A4 (0.46) CYP3A4FOLH1TTRSSTR2CTSD
SCHEMBL24136561 0.93 CYP3A4 (0.46) CYP3A4FOLH1TTRSSTR2CTSD
SCHEMBL21781842 0.93 CYP3A4 (0.47) CYP3A4FOLH1TTRSSTR2CTSD
SCHEMBL21782116 0.91 CYP3A4 (0.46) CYP3A4FOLH1TTRSSTR2TACR1
SCHEMBL21781868 0.89 CYP3A4 (0.45) CYP3A4FOLH1TTRSSTR2CTSD
SCHEMBL24136571 0.88 CYP3A4 (0.46) CYP3A4FOLH1TTRSSTR2CTSD
SCHEMBL24136516 0.88 CYP3A4 (0.51) CYP3A4FOLH1TTRSSTR2CTSD
SCHEMBL21781885 0.87 FOLH1 (0.40) CYP3A4FOLH1TTRSSTR2

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