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SCHEMBL21781897

SCHEMBL21781897

CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCN2CCC(C(=O)NC(C)C)CC2C(F)(F)F)C(C)C)cc1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.51
▸ FOLH1 Q04609 3/20 0.45
▸ TTR P02766 2/20 0.44
▸ SSTR2 P30874 2/20 0.37
▸ NECTIN4 Q96NY8 1/20 0.36
▸ AKT1 P31749 3/20 0.35
▸ FAP Q12884 1/20 0.34

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
SCHEMBL21782006 1.00 CYP3A4 (0.51) CYP3A4FOLH1TTRSSTR2NECTIN4
SCHEMBL21781935 0.97 CYP3A4 (0.51) CYP3A4FOLH1TTRSSTR2NECTIN4
SCHEMBL21781945 0.97 CYP3A4 (0.50) CYP3A4FOLH1TTRSSTR2NECTIN4
SCHEMBL22068494 0.97 CYP3A4 (0.51) CYP3A4FOLH1TTRSSTR2NECTIN4
SCHEMBL21782105 0.97 CYP3A4 (0.52) CYP3A4FOLH1TTRSSTR2NECTIN4
SCHEMBL21782034 0.97 CYP3A4 (0.51) CYP3A4FOLH1TTRSSTR2NECTIN4
SCHEMBL21781836 0.97 CYP3A4 (0.52) CYP3A4FOLH1TTRSSTR2NECTIN4
SCHEMBL21782035 0.97 CYP3A4 (0.51) CYP3A4FOLH1TTRSSTR2NECTIN4
SCHEMBL22068495 0.97 CYP3A4 (0.51) CYP3A4FOLH1TTRSSTR2NECTIN4
SCHEMBL21782033 0.97 CYP3A4 (0.51) CYP3A4FOLH1TTRSSTR2NECTIN4

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