SCHEMBL2363391

SCHEMBL2363391

C=CC(OC(=O)CCCCC(=O)OC(C=C)N(CC)CC)N(CC)CC

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
TSHR P16473 1/20 0.39
ALDH1A1 P00352 2/20 0.38
PRKCA P17252 2/20 0.35
PRKCE Q02156 2/20 0.35
PRKCQ Q04759 2/20 0.35
PRKCD Q05655 2/20 0.35
LPAR3 Q9UBY5 5/20 0.34
LPAR1 Q92633 3/20 0.34
ENPP2 Q13822 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LPAR2 Q9HBW0 2/20 0.33
CYP1A2 P05177 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
SCHEMBL3731330 0.78 TSHR (0.38) TSHRALDH1A1
SCHEMBL4543468 0.75 TSHR (0.36) TSHRALDH1A1
SCHEMBL2347386 0.74 LMNA (0.50) LMNAMAPTMAPK1TSHRALDH1A1
SCHEMBL358238 0.73 LMNA (0.52) LMNAMAPTMAPK1TSHRALDH1A1
SCHEMBL7940409 0.69 LMNA (0.61) LMNAMAPTMAPK1TSHRALDH1A1
SCHEMBL17913870 0.69 LMNA (0.61) LMNAMAPTMAPK1TSHRALDH1A1
SCHEMBL677098 0.69 LMNA (0.61) LMNAMAPTMAPK1TSHRALDH1A1
SCHEMBL18395932 0.69 LMNA (0.41) LMNAMAPTMAPK1TSHRALDH1A1
SCHEMBL24592928 0.68 CYP1A2 (0.41) LMNAMAPTTSHRALDH1A1CYP1A2
SCHEMBL11512364 0.68 LMNA (0.65) LMNAMAPTMAPK1TSHRALDH1A1

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-8552080-B2 Polyurethane foams RHODIA OPERATIONS (FR) 2013-10-08 US disclosed
US-20110190406-A1 POLYURETHANE FOAMS PERFORMANCE POLYAMIDES, SAS (FR) 2011-08-04 US disclosed