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Sugi Predict / Compounds / SCHEMBL20192155

SCHEMBL20192155

SCHEMBL20192155

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

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.46
▸ FOLH1 Q04609 3/20 0.42
▸ TTR P02766 2/20 0.40
▸ SSTR2 P30874 2/20 0.38
▸ CTSD P07339 7/20 0.34
▸ CTSE P14091 7/20 0.34
▸ BACE1 P56817 5/20 0.34
▸ REN P00797 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
SCHEMBL17575206 1.00 CYP3A4 (0.46) CYP3A4FOLH1TTRSSTR2CTSD
SCHEMBL17575366 0.98 CYP3A4 (0.45) CYP3A4FOLH1TTRSSTR2CTSD
SCHEMBL20192139 0.98 CYP3A4 (0.45) CYP3A4FOLH1TTRSSTR2CTSD
SCHEMBL21229460 0.95 CYP3A4 (0.46) CYP3A4FOLH1TTRSSTR2CTSD
SCHEMBL17575290 0.95 CYP3A4 (0.47) CYP3A4FOLH1TTRSSTR2CTSD
SCHEMBL17575235 0.95 CYP3A4 (0.44) CYP3A4FOLH1TTRSSTR2CTSD
SCHEMBL20192166 0.95 CYP3A4 (0.44) CYP3A4FOLH1TTRSSTR2CTSD
SCHEMBL21229378 0.94 CYP3A4 (0.43) CYP3A4FOLH1TTRSSTR2CTSD
SCHEMBL16730797 0.94 CYP3A4 (0.50) CYP3A4FOLH1TTRSSTR2CTSD
SCHEMBL19522611 0.94 CYP3A4 (0.50) CYP3A4FOLH1TTRSSTR2CTSD

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