SCHEMBL8411652

SCHEMBL8411652

C=C(C)COC(=O)C(C#N)=C(c1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
MAPK1 P28482 3/20 0.54
LMNA P02545 2/20 0.54
TDP1 Q9NUW8 2/20 0.41
MAPT P10636 4/20 0.40
RAB9A P51151 2/20 0.40
XBP1 P17861 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ELANE P08246 1/20 0.36
GPR174 Q9BXC1 1/20 0.36
CYP19A1 P11511 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL11226580 0.88 ALDH1A1 (0.53) ALDH1A1MAPK1LMNATDP1MAPT
SCHEMBL11401792 0.88 ALDH1A1 (0.49) ALDH1A1MAPK1LMNATDP1MAPT
SCHEMBL2141031 0.85 ALDH1A1 (0.55) ALDH1A1MAPK1LMNATDP1MAPT
SCHEMBL13753886 0.85 ALDH1A1 (0.55) ALDH1A1MAPK1LMNATDP1MAPT
SCHEMBL11213262 0.84 ALDH1A1 (0.53) ALDH1A1MAPK1LMNATDP1MAPT
SCHEMBL9068109 0.82 ALDH1A1 (0.55) ALDH1A1MAPK1LMNATDP1MAPT
Etocrylene SCHEMBL39390 0.82 ALDH1A1 (0.62) ALDH1A1MAPK1LMNAMAPTRAB9A
Etocrylene SCHEMBL1768864 0.82 ALDH1A1 (0.62) ALDH1A1MAPK1LMNAMAPTRAB9A
SCHEMBL11408376 0.81 ALDH1A1 (0.55) ALDH1A1MAPK1LMNATDP1MAPT
SCHEMBL2136651 0.81 ALDH1A1 (0.52) ALDH1A1MAPK1LMNATDP1MAPT

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
US-5961962-A SUNSCREENS SOCIETE L'OREAL S.A. (FR) 1999-10-05 US disclosed
US-5827509-A Photoprotective/cosmetic compositions comprising cinnamonitrile-substituted polyorganosiloxanes/polyorganosilanes SOCIETE L'OREAL S.A. (FR) 1998-10-27 US disclosed