SCHEMBL5720659

SCHEMBL5720659

CCCCC(CC)COC(=O)C(C#N)=C1C=C(C)OC(C)=C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.52
▸ MAPK1 P28482 4/20 0.52
▸ LMNA P02545 3/20 0.52
▸ CYP3A4 P08684 4/20 0.44
▸ CA2 P00918 3/20 0.44
▸ TSHR P16473 4/20 0.44
▸ TDP1 Q9NUW8 2/20 0.43
▸ ATM Q13315 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ PRSS1 P07477 1/20 0.40
▸ PRSS2 P07478 1/20 0.40
▸ PRSS3 P35030 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ RAB9A P51151 1/20 0.32
▸ MMP9 P14780 1/20 0.32

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 0.83 ALDH1A1 (0.49) ALDH1A1MAPK1LMNACYP3A4CA2
SCHEMBL5720616 0.79 KMT2A (0.51) ALDH1A1MAPK1LMNATSHRTDP1
SCHEMBL5720585 0.79 ALDH1A1 (0.45) ALDH1A1MAPK1LMNACYP3A4CA2
SCHEMBL12311743 0.77 ALDH1A1 (0.54) ALDH1A1MAPK1LMNACYP3A4CA2
SCHEMBL15473403 0.76 ALDH1A1 (0.63) ALDH1A1MAPK1LMNACYP3A4CA2
SCHEMBL8656363 0.76 ALDH1A1 (0.43) ALDH1A1MAPK1LMNACYP3A4CA2
SCHEMBL2782346 0.75 ALDH1A1 (0.61) ALDH1A1MAPK1LMNACYP3A4CA2
SCHEMBL35833 0.74 ALDH1A1 (0.56) ALDH1A1MAPK1LMNACYP3A4CA2
SCHEMBL13620917 0.74 ALDH1A1 (0.51) ALDH1A1MAPK1LMNACYP3A4CA2
SCHEMBL23870712 0.74 ALDH1A1 (0.54) ALDH1A1MAPK1LMNACYP3A4CA2

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
EP-1474098-B1 SUNSCREEN COMPOSITIONS AS WELL AS DIHYDROPYRIDINES AND DIHYDROPYRANES DSM IP ASSETS BV (NL) 2006-08-02 — — EP claimed
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