SCHEMBL29696106

SCHEMBL29696106

CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 2/20 0.58
▸ NTSR2 O95665 2/20 0.45
▸ NTSR1 P30989 2/20 0.45
▸ CCNA2 P20248 2/20 0.44
▸ CDK2 P24941 2/20 0.44
▸ CCNA1 P78396 2/20 0.44
▸ TLR2 O60603 3/20 0.41
▸ GRIN2D O15399 1/20 0.41
▸ GRIN3B O60391 1/20 0.41
▸ GRIN1 Q05586 1/20 0.41
▸ GRIN2A Q12879 1/20 0.41
▸ GRIN2B Q13224 1/20 0.41
▸ GRIN2C Q14957 1/20 0.41
▸ GRIN3A Q8TCU5 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.40
▸ SORT1 Q99523 1/20 0.40
▸ TASP1 Q9H6P5 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
SCHEMBL38663446 0.89 BACE1 (0.51) BACE1CCNA2CDK2CCNA1RXFP1
SCHEMBL6535746 0.88 FOLH1 (0.47) BACE1
SCHEMBL6535743 0.88 FOLH1 (0.47) BACE1
SCHEMBL29901568 0.88 BACE1 (0.53) BACE1
SCHEMBL30425289 0.88 BACE1 (0.49) BACE1CCNA2CDK2CCNA1RXFP1
SCHEMBL30736017 0.87 BACE1 (0.46) BACE1NTSR2NTSR1
SCHEMBL29646562 0.87 BACE1 (0.58) BACE1CCNA2CDK2CCNA1GRIN2D
SCHEMBL30996905 0.87 BACE1 (0.54) BACE1NTSR2NTSR1CCNA2CDK2
SCHEMBL31663474 0.87 BACE1 (0.51) BACE1NTSR2NTSR1CCNA2CDK2
SCHEMBL31343299 0.86 FOLH1 (0.48) BACE1

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
US-20220265759-A1 COMPOSITION AND METHOD FOR PROMOTING WOUND HEALING THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2022-08-25 — — US claimed
US-20220265759-A1 COMPOSITION AND METHOD FOR PROMOTING WOUND HEALING THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2022-08-25 — — US disclosed
EP-4003393-A1 COMPOSITION AND METHOD FOR PROMOTING WOUND HEALING THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2022-06-01 — — EP disclosed
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