SCHEMBL25426433

SCHEMBL25426433

COc1cccc(CN(Cc2ccc3nc[nH]c3c2)c2cccc(OCCOCCOc3cccc(OC)c3)c2)c1

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 14/20 0.74
▸ MMP12 P39900 1/20 0.45
▸ QPCTL Q9NXS2 3/20 0.45
▸ ALDH1A1 P00352 1/20 0.40
▸ CETP P11597 1/20 0.39

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
SCHEMBL30245421 1.00 QPCT (0.74) QPCTMMP12QPCTLALDH1A1CETP
SCHEMBL25426422 0.94 QPCT (0.67) QPCTMMP12QPCTLCETP
SCHEMBL30245768 0.94 QPCT (0.67) QPCTMMP12QPCTLCETP
SCHEMBL30244961 0.93 QPCT (0.72) QPCTMMP12QPCTLALDH1A1
SCHEMBL25425381 0.93 QPCT (0.72) QPCTMMP12QPCTLALDH1A1
SCHEMBL30245085 0.92 QPCT (0.74) QPCTMMP12QPCTLCETP
SCHEMBL25424858 0.91 QPCT (0.66) QPCTMMP12QPCTLALDH1A1
SCHEMBL30245717 0.91 QPCT (0.66) QPCTMMP12QPCTLALDH1A1
SCHEMBL25427271 0.90 QPCT (0.65) QPCTMMP12QPCTL
SCHEMBL30245274 0.90 QPCT (0.65) QPCTMMP12QPCTL

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-2023018472-A9 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-07-13 — — WO disclosed
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