SCHEMBL30245218

SCHEMBL30245218

COc1cccc(CN(Cc2cccc(N(C)C)c2)c2ccc(OCCOCCOc3cccc(OC)c3)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.48
▸ QPCT Q16769 2/20 0.47
▸ TSHR P16473 2/20 0.44
▸ APP P05067 6/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ BCHE P06276 2/20 0.40
▸ ACHE P22303 2/20 0.40
▸ CETP P11597 1/20 0.40
▸ MAOB P27338 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
SCHEMBL30244968 0.94 QPCT (0.49) QPCTTSHRAPPMAPK1BCHE
SCHEMBL30245653 0.93 ALDH1A1 (0.50) ALDH1A1QPCTTSHRAPPHRH3
SCHEMBL30245592 0.93 QPCT (0.50) QPCTTSHRAPPMAPK1BCHE
SCHEMBL30245331 0.93 QPCT (0.52) ALDH1A1QPCTTSHRHRH3MAPK1
SCHEMBL30245241 0.92 ALDH1A1 (0.46) ALDH1A1QPCTTSHRAPPHRH3
SCHEMBL30245259 0.91 APP (0.44) ALDH1A1QPCTTSHRAPPBCHE
SCHEMBL30245212 0.90 ALDH1A1 (0.47) ALDH1A1QPCTTSHRAPPHRH3
SCHEMBL30245409 0.89 APP (0.47) ALDH1A1QPCTAPPCETPMAOB
SCHEMBL30245693 0.88 QPCT (0.52) ALDH1A1QPCTAPPMAPK1BCHE
SCHEMBL30245310 0.87 QPCT (0.53) ALDH1A1QPCTAPPMAPK1BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4384516-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS Texas Heart Institute (US) 2024-06-19 — — EP claimed
WO-2023018472-A9 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-07-13 — — WO claimed
WO-2023018472-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-02-16 — — WO claimed
EP-4384516-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS Texas Heart Institute (US) 2024-06-19 — — EP disclosed
WO-2023018472-A9 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-07-13 — — WO disclosed
WO-2023018472-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-02-16 — — WO disclosed
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