SCHEMBL27859577

SCHEMBL27859577

CCCCC(CC)Cc1ccccc1C(=C(C#N)C(=O)O)c1ccccc1.COOC(=O)C=Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
LMNA P02545 3/20 0.52
MAPK1 P28482 2/20 0.52
TDP1 Q9NUW8 1/20 0.42
CA2 P00918 1/20 0.37
CYP3A4 P08684 1/20 0.37
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
ESR1 P03372 4/20 0.32
ESR2 Q92731 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
PGR P06401 2/20 0.32
MMP1 P03956 1/20 0.32
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 1/20 0.31
RECQL P46063 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL125996 0.86 ALDH1A1 (0.61) ALDH1A1LMNAMAPK1CA2CYP3A4
Salicylic Acid SCHEMBL3216090 0.80 ALDH1A1 (0.54) ALDH1A1LMNAMAPK1CA2CYP3A4
SCHEMBL9015799 0.80 ALDH1A1 (0.57) ALDH1A1LMNAMAPK1CA2CYP3A4
SCHEMBL30464659 0.76 ALDH1A1 (0.43) ALDH1A1LMNAMAPK1TDP1CA2
SCHEMBL5244183 0.75 ALDH1A1 (0.51) ALDH1A1LMNAMAPK1TDP1CA2
SCHEMBL17202662 0.74 ALDH1A1 (0.56) ALDH1A1LMNAMAPK1CA2CYP3A4
Octocrylene SCHEMBL1655403 0.73 LMNA (0.71) ALDH1A1LMNAMAPK1TDP1CA2
SCHEMBL9138289 0.72 ALDH1A1 (0.48) ALDH1A1LMNAMAPK1CA2CYP3A4
SCHEMBL27654256 0.72 TDP1 (0.58) ALDH1A1LMNATDP1CA2CYP3A4
SCHEMBL11142231 0.71 TDP1 (0.43) ALDH1A1LMNAMAPK1TDP1CA2

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
CN-102356121-A Uv and light protective film HUHTAMAKI FORCHHEIM 2012-02-15 CN claimed
CN-102356121-A Uv and light protective film HUHTAMAKI FORCHHEIM 2012-02-15 CN disclosed