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Sugi Predict / Compounds / SCHEMBL20192258

SCHEMBL20192258

SCHEMBL20192258

CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N(C)[C@@H]([C@@H](C)CC)[C@@H](CC(=O)NOCc1ccc(NC(=O)[C@@H](CCCNC(N)=O)NC(=O)C(NC(=O)CCCC(=O)N2CCC(C(=O)O)CC2)C(C)C)cc1)OC)OC)N(C)C(=O)[C@@H](NC(=O)C(C(C)C)N(C)C)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.48
▸ FOLH1 Q04609 3/20 0.47
▸ TTR P02766 2/20 0.43
▸ NECTIN4 Q96NY8 1/20 0.36
▸ SSTR2 P30874 2/20 0.34
▸ FAP Q12884 5/20 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
SCHEMBL17575384 1.00 CYP3A4 (0.48) CYP3A4FOLH1TTRNECTIN4SSTR2
SCHEMBL19522552 0.94 CYP3A4 (0.52) CYP3A4FOLH1TTRNECTIN4SSTR2
SCHEMBL16730705 0.94 CYP3A4 (0.52) CYP3A4FOLH1TTRNECTIN4SSTR2
SCHEMBL17575423 0.94 CYP3A4 (0.53) CYP3A4FOLH1TTRNECTIN4SSTR2
SCHEMBL20192209 0.92 CYP3A4 (0.50) CYP3A4FOLH1TTRNECTIN4SSTR2
SCHEMBL17575283 0.92 CYP3A4 (0.50) CYP3A4FOLH1TTRNECTIN4SSTR2
SCHEMBL20192098 0.90 CYP3A4 (0.50) CYP3A4FOLH1TTRNECTIN4SSTR2
SCHEMBL17575259 0.90 CYP3A4 (0.50) CYP3A4FOLH1TTRNECTIN4SSTR2
SCHEMBL19084353 0.89 CYP3A4 (0.49) CYP3A4FOLH1TTRNECTIN4SSTR2
SCHEMBL19084307 0.89 CYP3A4 (0.49) CYP3A4FOLH1TTRNECTIN4SSTR2

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
US-9981046-B2 Drug-conjugates, conjugation methods, and uses thereof Concortis Biosystems, Corp., a wholly owned Subsidiary of Sorrento Therapeutics, Inc. (US) 2018-05-29 — — US disclosed