SCHEMBL30245212

SCHEMBL30245212

COc1cccc(CN(Cc2cccc(N(C)C)c2)c2cccc(COCCOCCOc3cccc(OC)c3)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.47
▸ QPCT Q16769 2/20 0.46
▸ MAOB P27338 7/20 0.44
▸ TSHR P16473 2/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.41
▸ CETP P11597 2/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ IDO1 P14902 2/20 0.40
▸ AGXT P21549 2/20 0.40
▸ APP P05067 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
SCHEMBL25297747 0.97 QPCT (0.47) ALDH1A1QPCTMAOBCETPIDO1
SCHEMBL30245736 0.97 QPCT (0.47) ALDH1A1QPCTMAOBCETPIDO1
SCHEMBL30245285 0.97 QPCT (0.47) ALDH1A1QPCTMAOBCETPIDO1
SCHEMBL30245041 0.95 QPCT (0.49) ALDH1A1QPCTMAOBTSHRHRH3
SCHEMBL30245653 0.94 ALDH1A1 (0.50) ALDH1A1QPCTMAOBTSHRHRH3
SCHEMBL30245930 0.94 QPCT (0.47) QPCTMAOBCETPIDO1AGXT
SCHEMBL30245241 0.94 ALDH1A1 (0.46) ALDH1A1QPCTMAOBTSHRHRH3
SCHEMBL30245313 0.94 CETP (0.46) ALDH1A1QPCTMAOBTSHRCETP
SCHEMBL25424604 0.94 CETP (0.46) ALDH1A1QPCTMAOBTSHRCETP
SCHEMBL30244988 0.93 QPCT (0.48) QPCTMAOBCETPIDO1AGXT

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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