SCHEMBL30901840

SCHEMBL30901840

CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 11/20 0.47
▸ PTPN1 P18031 3/20 0.47
▸ FOLH1 Q04609 2/20 0.46
▸ CTSD P07339 4/20 0.45
▸ OPRM1 P35372 2/20 0.44
▸ OPRD1 P41143 2/20 0.44
▸ OPRK1 P41145 2/20 0.44
▸ EGFR P00533 1/20 0.42

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
SCHEMBL30901841 0.97 PTPN1 (0.46) BACE1PTPN1FOLH1CTSDOPRM1
SCHEMBL30695068 0.91 FOLH1 (0.47) BACE1FOLH1CTSDOPRM1OPRD1
SCHEMBL30737969 0.88 GLO1 (0.41) BACE1PTPN1FOLH1CTSD
SCHEMBL29978438 0.88 PTGS1 (0.48) BACE1PTPN1FOLH1OPRM1OPRD1
SCHEMBL29669901 0.87 FOLH1 (0.47) BACE1PTPN1FOLH1CTSDOPRM1
SCHEMBL29669822 0.87 BACE1 (0.43) BACE1PTPN1CTSD
SCHEMBL7619814 0.87 FOLH1 (0.52) BACE1PTPN1FOLH1CTSD
SCHEMBL29604170 0.87 FOLH1 (0.42) BACE1FOLH1CTSD
SCHEMBL29655247 0.87 FOLH1 (0.60) BACE1PTPN1FOLH1CTSD
SCHEMBL31194150 0.86 FOLH1 (0.49) BACE1PTPN1FOLH1OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118059024-B Liquid crystal compound for promoting transdermal absorption of bioactive polypeptide as well as preparation method and application thereof 中科湖州应用技术研究院 2024-08-16 — — CN claimed
CN-117964694-B Polypeptide capable of specifically promoting Nrf2 gene expression and application thereof 中科湖州应用技术研究院 2024-08-16 — — CN claimed
CN-118059024-A Liquid crystal compound for promoting transdermal absorption of bioactive polypeptide as well as preparation method and application thereof 中科湖州应用技术研究院 2024-05-24 — — CN claimed
CN-117964694-A Polypeptide capable of specifically promoting Nrf2 gene expression and application thereof 中科湖州应用技术研究院 2024-05-03 — — CN claimed
CN-118059024-B Liquid crystal compound for promoting transdermal absorption of bioactive polypeptide as well as preparation method and application thereof 中科湖州应用技术研究院 2024-08-16 — — CN disclosed
CN-117964694-B Polypeptide capable of specifically promoting Nrf2 gene expression and application thereof 中科湖州应用技术研究院 2024-08-16 — — CN disclosed
CN-118059024-A Liquid crystal compound for promoting transdermal absorption of bioactive polypeptide as well as preparation method and application thereof 中科湖州应用技术研究院 2024-05-24 — — CN disclosed
CN-117964694-A Polypeptide capable of specifically promoting Nrf2 gene expression and application thereof 中科湖州应用技术研究院 2024-05-03 — — CN disclosed
Send feedback