SCHEMBL5694488

SCHEMBL5694488

CCNc1ccccc1CCCC(=O)OCC

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 3/20 0.59
▸ CYP4A11 Q02928 3/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ CYP3A4 P08684 2/20 0.53
▸ CYP2D6 P10635 2/20 0.53
▸ CYP2C19 P33261 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ ALOX5 P09917 1/20 0.47
▸ TOP2A P11388 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ NAMPT P43490 1/20 0.44
▸ TNF P01375 1/20 0.44
▸ CYP4Z1 Q86W10 1/20 0.43
▸ CYP4F11 Q9HBI6 1/20 0.43
▸ CYP4F12 Q9HCS2 1/20 0.43
▸ GAA P10253 1/20 0.41
▸ PDE5A O76074 1/20 0.41
▸ ELANE P08246 1/20 0.41

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
SCHEMBL11240376 0.85 CYP4F2 (0.53) CYP4F2CYP4A11SMN1; SMN2CYP3A4CYP2D6
SCHEMBL532277 0.84 CYP4F2 (0.58) CYP4F2CYP4A11SMN1; SMN2CYP3A4CYP2D6
SCHEMBL8530220 0.82 CYP4F2 (0.56) CYP4F2CYP4A11SMN1; SMN2CYP3A4CYP2D6
SCHEMBL25900213 0.82 PKM (0.49) CYP4F2CYP4A11CYP2C9ALDH1A1
SCHEMBL2498217 0.81 TOP2A (0.56) CYP4F2CYP4A11SMN1; SMN2CYP3A4CYP2D6
Potassium Ion SCHEMBL11266517 0.79 HDAC3 (0.46) CYP4F2CYP4A11ALDH1A1GAA
SCHEMBL7722448 0.79 CYP4F2 (0.70) CYP4F2CYP4A11SMN1; SMN2CYP3A4CYP2D6
SCHEMBL9157019 0.78 CYP4F2 (0.64) CYP4F2CYP4A11SMN1; SMN2CYP3A4CYP2D6
SCHEMBL1511092 0.78 CYP4F2 (0.64) CYP4F2CYP4A11SMN1; SMN2CYP3A4CYP2D6
SCHEMBL8851552 0.78 CYP4F2 (0.68) CYP4F2CYP4A11SMN1; SMN2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1668079-A1 ADSORBABLE ORGANIC HALOGEN (AOX)-FREE NAVY AND BLACK DISPERSE DYES DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2006-06-14 — — EP disclosed
WO-2005030877-A1 ADSORBABLE ORGANIC HALOGEN (AOX)-FREE NAVY AND BLACK DISPERSE DYES DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2005-04-07 — — WO disclosed
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