SCHEMBL22561279

SCHEMBL22561279

CCC(Cc1ccccc1)NC(=O)C(C)C(OC)C1CCCN1C(=O)CC(OC)C(C(C)CC)N(C)C(=O)CNC(=O)C(C(C)C)N(C)C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSD P07339 2/20 0.36
CTSE P14091 2/20 0.36
BACE1 P56817 1/20 0.36
SSTR2 P30874 2/20 0.36
CYP3A4 P08684 1/20 0.34
FOLH1 Q04609 2/20 0.32
KLK5 Q9Y337 1/20 0.32
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
ACE P12821 5/20 0.31
ACE2 Q9BYF1 3/20 0.31
REN P00797 1/20 0.31
MMP9 P14780 1/20 0.31
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 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 0.94 CTSD (0.37) CTSDCTSEBACE1SSTR2CYP3A4
SCHEMBL23626306 0.94 CTSD (0.37) CTSDCTSEBACE1SSTR2CYP3A4
SCHEMBL21782040 0.94 CTSD (0.37) CTSDCTSEBACE1SSTR2CYP3A4
SCHEMBL22419930 0.93 CYP3A4 (0.37) CTSDCTSEBACE1SSTR2CYP3A4
SCHEMBL19841574 0.93 CYP3A4 (0.37) CTSDCTSEBACE1SSTR2CYP3A4
SCHEMBL18602020 0.93 CYP3A4 (0.37) CTSDCTSEBACE1SSTR2CYP3A4
SCHEMBL15811693 0.93 CYP3A4 (0.37) CTSDCTSEBACE1SSTR2CYP3A4
SCHEMBL21781785 0.92 SSTR2 (0.36) CTSDCTSEBACE1SSTR2CYP3A4
SCHEMBL21230055 0.92 SSTR2 (0.36) CTSDCTSEBACE1SSTR2CYP3A4
SCHEMBL20750952 0.92 SSTR2 (0.38) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3725798-A1 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2020-10-21 EP disclosed