SCHEMBL10529166

SCHEMBL10529166

CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OCCO

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.82
EPHX2 P34913 1/20 0.67
DGKA P23743 2/20 0.65
CNR2 P34972 2/20 0.61
MAPT P10636 2/20 0.61
ALDH1A1 P00352 1/20 0.61
THRB P10828 1/20 0.61
CNR1 P21554 1/20 0.61
TRPV1 Q8NER1 1/20 0.61
PRKCE Q02156 1/20 0.61
PRKCQ Q04759 1/20 0.61
PRKCD Q05655 1/20 0.61
PRKCA P17252 1/20 0.61
GMNN O75496 1/20 0.56
USP2 O75604 1/20 0.56
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56
POLB P06746 1/20 0.56
CYP2C9 P11712 1/20 0.56
ALOX15 P16050 1/20 0.56

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
SCHEMBL3657147 1.00 MGLL (0.82) MGLLEPHX2DGKACNR2MAPT
SCHEMBL93861 1.00 MGLL (0.82) MGLLEPHX2DGKACNR2MAPT
SCHEMBL324737 1.00 MGLL (0.82) MGLLEPHX2DGKACNR2MAPT
SCHEMBL29454638 1.00 MGLL (0.82) MGLLEPHX2DGKACNR2MAPT
SCHEMBL15664437 1.00 MGLL (0.82) MGLLEPHX2DGKACNR2MAPT
SCHEMBL15664438 1.00 MGLL (0.82) MGLLEPHX2DGKACNR2MAPT
SCHEMBL10715660 1.00 MGLL (0.82) MGLLEPHX2DGKACNR2MAPT
SCHEMBL10491614 0.98 MGLL (0.80) MGLLEPHX2DGKACNR2MAPT
Ethylene SCHEMBL10418119 0.97 MGLL (0.78) MGLLEPHX2DGKACNR2MAPT
Ethylene SCHEMBL1564174 0.97 MGLL (0.78) MGLLEPHX2DGKACNR2MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0122552-B1 AQUEOUS POLYURETHANE COMPOSITIONS CONTAINING A CROSS-LINKER, AND THEIR USE IN THERMO-ACTIVE ONE-LAYER TRANSFER COATING BAYER AG (DE) 1989-10-18 EP disclosed
US-4657613-A LAMINATING TEXTILES WITH POLYURETHANES; ADHESION BAYER AKTIENGESELLSCHAFT (DE) 1987-04-14 US disclosed
US-4588761-A POLYURETHANES BAYER AKTIENGESELLSCHAFT (DE) 1986-05-13 US disclosed
US-4543144-A CROSSLINKING WITH A BLOCKES POLYISOCYANATE OR FORMADEHYDE RESIN BAYER AKTIENGESELLSCHAFT (DE) 1985-09-24 US disclosed
EP-0122552-A2 Aqueous polyurethane compositions containing a cross-linker, and their use in thermo-active one-layer transfer coating BAYER AG (DE) 1984-10-24 EP disclosed