SCHEMBL5720585

SCHEMBL5720585

CCCCC(CC)COCCCN1C(C)=CC(=C(C#N)C(=O)OCC(CC)CCCC)C=C1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.45
▸ LMNA P02545 3/20 0.45
▸ MAPK1 P28482 3/20 0.45
▸ KDM4E B2RXH2 3/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CYP3A4 P08684 4/20 0.38
▸ CA2 P00918 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ MMP8 P22894 1/20 0.38
▸ MMP14 P50281 1/20 0.38
▸ TSHR P16473 3/20 0.38
▸ TDP1 Q9NUW8 2/20 0.37
▸ ATM Q13315 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ PRSS1 P07477 1/20 0.35
▸ PRSS2 P07478 1/20 0.35
▸ PRSS3 P35030 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.34
▸ NCOA1 Q15788 1/20 0.33

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
SCHEMBL5720606 0.93 ALDH1A1 (0.49) ALDH1A1LMNAMAPK1KDM4ESMN1; SMN2
SCHEMBL4333847 0.90 ALDH1A1 (0.44) ALDH1A1LMNAMAPK1KDM4ESMN1; SMN2
SCHEMBL4337616 0.84 ALDH1A1 (0.61) ALDH1A1LMNAMAPK1KDM4ESMN1; SMN2
SCHEMBL8656363 0.80 ALDH1A1 (0.43) ALDH1A1LMNAMAPK1KDM4ESMN1; SMN2
SCHEMBL5720659 0.79 ALDH1A1 (0.52) ALDH1A1LMNAMAPK1KDM4ECYP3A4
SCHEMBL5720589 0.77 MMP9 (0.37) ALDH1A1LMNAMAPK1KDM4ESMN1; SMN2
SCHEMBL8653520 0.74 ALDH1A1 (0.56) ALDH1A1KDM4ESMN1; SMN2HPGDNPSR1
SCHEMBL12311743 0.70 ALDH1A1 (0.54) ALDH1A1LMNAMAPK1KDM4ECYP3A4
SCHEMBL15473403 0.70 ALDH1A1 (0.63) ALDH1A1LMNAMAPK1CYP3A4CA2
SCHEMBL2782346 0.69 ALDH1A1 (0.61) ALDH1A1LMNAMAPK1CYP3A4CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1474098-B1 SUNSCREEN COMPOSITIONS AS WELL AS DIHYDROPYRIDINES AND DIHYDROPYRANES DSM IP ASSETS BV (NL) 2006-08-02 — — EP claimed
EP-1474098-A1 SUNSCREEN COMPOSITIONS AS WELL AS DIHYDROPYRIDINES AND DIHYDROPYRANES DSM IP Assets B.V. (NL) 2004-11-10 — — EP disclosed
WO-2003068183-A1 SUNSCREEN COMPOSITIONS AS WELL AS DIHYDROPYRIDINES AND DIHYDROPYRANES DSM IP ASSETS B.V. (NL) 2003-08-21 — — WO disclosed
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