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SCHEMBL6067581

SCHEMBL6067581

CCCCOc1c2cc(CP(=O)(OC)OC)cc1Cc1cc(CP(=O)(OC)OC)cc(c1OCCCC)Cc1cc(CP(=O)(OC)OC)cc(c1OCCCC)Cc1cc(CP(=O)(OC)OC)cc(c1OCCCC)C2

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GSTA1 P08263 5/20 0.43
▸ GSTP1 P09211 5/20 0.43
▸ TLR4 O00206 3/20 0.37
▸ CD14 P08571 3/20 0.37
▸ LY96 Q9Y6Y9 3/20 0.37
▸ PTPRB P23467 5/20 0.36
▸ PTPRC P08575 4/20 0.36
▸ PTPN2 P17706 4/20 0.36
▸ PTPN1 P18031 4/20 0.36
▸ PTPN11 Q06124 4/20 0.36
▸ THRA P10827 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ CYP3A4 P08684 1/20 0.34

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
SCHEMBL6067586 0.74 TLR4 (0.42) GSTA1GSTP1TLR4CD14LY96
SCHEMBL6067643 0.72 GSTA1 (0.44) GSTA1GSTP1TLR4CD14LY96
SCHEMBL6067644 0.71 TLR4 (0.43) GSTA1GSTP1TLR4CD14LY96
SCHEMBL14353074 0.71 TLR4 (0.43) GSTA1GSTP1TLR4CD14LY96
SCHEMBL11041654 0.70 NR5A1 (0.51) —
SCHEMBL8824565 0.70 NR5A1 (0.51) —
SCHEMBL27397177 0.68 CETP (0.44) —
SCHEMBL27042367 0.67 CYP3A4 (0.44) CYP3A4
SCHEMBL10983463 0.67 HMGCR (0.47) CYP3A4
SCHEMBL13686090 0.67 TLR4 (0.38) GSTA1GSTP1TLR4CD14LY96

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-2006056182-A1 NOVEL ACTIVE SUBSTANCES FOR TREATING, DIAGNOSING AND PREVENTING MACULAR DEGENERATION PHILIPPS-UNIVERSITÄT MARBURG (DE) 2006-06-01 — — WO disclosed
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