SCHEMBL30017540

SCHEMBL30017540

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.51
EED O75530 1/20 0.51
CTSC P53634 1/20 0.50
BACE1 P56817 8/20 0.48
BACE2 Q9Y5Z0 2/20 0.48
NAALAD2 Q9Y3Q0 1/20 0.47
CTSD P07339 1/20 0.47

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
SCHEMBL30052854 0.93 CTSC (0.56) RENEEDCTSC
SCHEMBL29531750 0.93 CTSC (0.56) RENEEDCTSCNAALAD2
SCHEMBL30150553 0.90 REN (0.52) RENEEDBACE1BACE2
SCHEMBL29958630 0.90 REN (0.58) RENEEDCTSC
SCHEMBL27986181 0.89 NTSR2 (0.54) RENEEDBACE1BACE2NAALAD2
SCHEMBL27986189 0.89 NTSR2 (0.54) RENEEDBACE1BACE2NAALAD2
SCHEMBL29755347 0.89 MAPK1 (0.50) RENEEDCTSC
SCHEMBL10364374 0.88 CTSC (0.59) RENEEDCTSC
SCHEMBL30717622 0.88 NMUR2 (0.50) RENBACE1NAALAD2
SCHEMBL29634944 0.88 CALCRL (0.54) RENCTSCBACE1BACE2NAALAD2

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
WO-2022217395-A1 HIGH-PURITY HUMAN CORTICOTROPIN OR ANALOG THEREOF, AND LARGE-SCALE PREPARATION METHOD THEREFOR 南京汉欣医药科技有限公司 2022-10-20 WO disclosed