SCHEMBL24725396

SCHEMBL24725396

CCC(C)C(NC(=O)C(N)CCC(=O)C(C)C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCSC)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.47
▸ NTSR2 O95665 3/20 0.45
▸ NTSR1 P30989 3/20 0.45
▸ TLR2 O60603 3/20 0.41
▸ CCNA2 P20248 2/20 0.41
▸ CDK2 P24941 2/20 0.41
▸ CCNA1 P78396 2/20 0.41
▸ MDM4 O15151 1/20 0.40
▸ MDM2 Q00987 1/20 0.40
▸ FOLH1 Q04609 1/20 0.40
▸ FNTA P49354 4/20 0.40
▸ FNTB P49356 4/20 0.40
▸ SORT1 Q99523 2/20 0.40
▸ GRIN2D O15399 1/20 0.40
▸ GRIN3B O60391 1/20 0.40
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2A Q12879 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ GRIN2C Q14957 1/20 0.40
▸ GRIN3A Q8TCU5 1/20 0.40

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
SCHEMBL24725397 0.92 BACE1 (0.52) BACE1NTSR2NTSR1CCNA2CDK2
SCHEMBL24725395 0.88 BACE1 (0.48) BACE1NTSR2NTSR1CCNA2CDK2
SCHEMBL25083892 0.87 BACE1 (0.49) BACE1NTSR2NTSR1CCNA2CDK2
SCHEMBL31663474 0.87 BACE1 (0.51) BACE1NTSR2NTSR1TLR2CCNA2
SCHEMBL29646562 0.86 BACE1 (0.58) BACE1CCNA2CDK2CCNA1GRIN2D
SCHEMBL30996905 0.85 BACE1 (0.54) BACE1NTSR2NTSR1TLR2CCNA2
SCHEMBL30736017 0.85 BACE1 (0.46) BACE1NTSR2NTSR1FNTAFNTB
SCHEMBL24724812 0.85 BACE1 (0.47) BACE1NTSR2NTSR1FOLH1GRIN2D
SCHEMBL29696106 0.85 BACE1 (0.58) BACE1NTSR2NTSR1TLR2CCNA2
SCHEMBL24724813 0.85 FOLH1 (0.46) BACE1NTSR2NTSR1CCNA2CDK2

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-2022235699-A2 POTENT ASGPR-BINDING COMPOUNDS FOR THE DEGRADATION OF IMMUNOGLOBULINS AND OTHER PROTEINS AVILAR THERAPEUTICS, INC. (US) 2022-11-10 — — WO disclosed
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