SCHEMBL21782040

SCHEMBL21782040

CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)N[C@H](C)Cc1ccccc1)OC)N(C)C(=O)CNC(=O)C(C(C)C)N(C)C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSD P07339 2/20 0.37
CTSE P14091 2/20 0.37
BACE1 P56817 1/20 0.37
SSTR2 P30874 2/20 0.36
CYP3A4 P08684 1/20 0.34
FOLH1 Q04609 2/20 0.33
KLK5 Q9Y337 1/20 0.32
ACE P12821 7/20 0.32
ACE2 Q9BYF1 4/20 0.31
MMP9 P14780 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
REN P00797 1/20 0.30

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
SCHEMBL20749835 1.00 CTSD (0.37) CTSDCTSEBACE1SSTR2CYP3A4
SCHEMBL23626306 1.00 CTSD (0.37) CTSDCTSEBACE1SSTR2CYP3A4
SCHEMBL22618698 0.94 SSTR2 (0.35) CTSDCTSEBACE1SSTR2CYP3A4
SCHEMBL22561279 0.94 CTSD (0.36) CTSDCTSEBACE1SSTR2CYP3A4
SCHEMBL21137675 0.94 SSTR2 (0.36) CTSDCTSEBACE1SSTR2CYP3A4
SCHEMBL18602020 0.94 CYP3A4 (0.37) CTSDCTSEBACE1SSTR2CYP3A4
SCHEMBL15811693 0.94 CYP3A4 (0.37) CTSDCTSEBACE1SSTR2CYP3A4
SCHEMBL22419930 0.94 CYP3A4 (0.37) CTSDCTSEBACE1SSTR2CYP3A4
SCHEMBL19841574 0.94 CYP3A4 (0.37) CTSDCTSEBACE1SSTR2CYP3A4
SCHEMBL21781785 0.92 SSTR2 (0.36) CTSDCTSEBACE1SSTR2CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3954394-A1 DELIVERY SYSTEMS FOR CONTROLLED DRUG RELEASE Centurion BioPharma Corporation (US) 2022-02-16 EP disclosed
EP-3310800-B1 DELIVERY SYSTEMS FOR CONTROLLED DRUG RELEASE CENTURION BIOPHARMA CORP (US) 2021-11-17 EP disclosed
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