SCHEMBL299350

SCHEMBL299350

CCCCC[C@@H](CC)OC(=O)C(C#N)=C(c1ccccc1)c1ccc(OC)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
LMNA P02545 1/20 0.55
MAPK1 P28482 1/20 0.55
PTGS2 P35354 2/20 0.41
PNLIP P16233 2/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
CYP19A1 P11511 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CNR2 P34972 1/20 0.36
TAS1R3 Q7RTX0 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
SCHEMBL290270 1.00 ALDH1A1 (0.55) ALDH1A1LMNAMAPK1PTGS2PNLIP
SCHEMBL290271 1.00 ALDH1A1 (0.55) ALDH1A1LMNAMAPK1PTGS2PNLIP
SCHEMBL601710 0.92 ALDH1A1 (0.63) ALDH1A1LMNAMAPK1PTGS2CES2
SCHEMBL4743756 0.89 ALDH1A1 (0.67) ALDH1A1LMNAMAPK1PTGS2RAB9A
SCHEMBL17417889 0.85 ALDH1A1 (0.56) ALDH1A1LMNAMAPK1RAB9AMAPT
SCHEMBL12832075 0.84 ALDH1A1 (0.49) ALDH1A1LMNAMAPK1PTGS2PNLIP
SCHEMBL10067446 0.82 ALDH1A1 (0.74) ALDH1A1LMNAMAPK1PTGS2CES2
SCHEMBL6344467 0.81 ALDH1A1 (0.56) ALDH1A1LMNAMAPK1PTGS2CES2
SCHEMBL13236533 0.81 ALDH1A1 (0.56) ALDH1A1LMNAMAPK1PTGS2CES2
SCHEMBL6344463 0.81 ALDH1A1 (0.56) ALDH1A1LMNAMAPK1PTGS2CES2

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-2427181-A2 TOPICAL COMPOSITIONS COMPRISING AN ALKOXYLATED DIPHENYLACRYLATE COMPOUND AND AN ARYL CARBOXYLIC ESTER ELC Management LLC (US) 2012-03-14 EP disclosed
WO-2010129321-A3 TOPICAL COMPOSITIONS COMPRISING AN ALKOXYLATED DIPHENYLACRYLATE COMPOUND AND AN ARYL CARBOXYLIC ESTER ELC MANAGEMENT LLC (US) 2011-03-10 WO disclosed
WO-2010129321-A2 TOPICAL COMPOSITIONS COMPRISING AN ALKOXYLATED DIPHENYLACRYLATE COMPOUND AND AN ARYL CARBOXYLIC ESTER ELC MANAGEMENT LLC (US) 2010-11-11 WO disclosed