SCHEMBL6259565

SCHEMBL6259565

CC1(/C=C\C(=O)c2ccccc2)C=CC=CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.41
MAPT P10636 6/20 0.40
LMNA P02545 4/20 0.40
BCHE P06276 3/20 0.40
PLIN1 O60240 2/20 0.40
PLIN5 Q00G26 2/20 0.40
ABHD5 Q8WTS1 2/20 0.40
MAOB P27338 2/20 0.40
TNFRSF1A P19438 1/20 0.40
ACHE P22303 1/20 0.40
CYP1B1 Q16678 1/20 0.40
ALDH1A1 P00352 5/20 0.39
CYP3A4 P08684 3/20 0.39
HPGD P15428 2/20 0.39
AKT1 P31749 2/20 0.39
P4HB P07237 1/20 0.37
NFKB1 P19838 4/20 0.37
NFKB2 Q00653 4/20 0.37
RELA Q04206 4/20 0.37
NPSR1 Q6W5P4 3/20 0.37

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
SCHEMBL6259567 1.00 RECQL (0.41) RECQLMAPTLMNABCHEPLIN1
SCHEMBL3423749 0.81 MAPT (0.41) RECQLMAPTLMNABCHEPLIN1
SCHEMBL3697930 0.79 ALDH1A1 (0.42) RECQLMAPTLMNABCHEPLIN1
SCHEMBL4896000 0.79 MAPT (0.44) RECQLMAPTLMNABCHEPLIN1
SCHEMBL6470886 0.79 MAPT (0.40) RECQLMAPTLMNABCHEPLIN1
SCHEMBL5704746 0.79
SCHEMBL5704747 0.79
SCHEMBL3472865 0.79 AKT1 (0.42) RECQLMAPTLMNABCHEPLIN1
SCHEMBL28068774 0.77 MAPT (0.38) RECQLMAPTLMNABCHEPLIN1
SCHEMBL14359120 0.76 MAPT (0.42) RECQLMAPTLMNABCHEPLIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1187865-B1 METHOD FOR PRODUCING OF MATRESSES, UPHOLSTERIES FOR FURNITURE OR CARPET BACKINGS BASF AG (DE) 2005-11-09 EP claimed
EP-1187865-A1 METHOD FOR PRODUCING POLYURETHANE FOAMS BASF AKTIENGESELLSCHAFT (DE) 2002-03-20 EP claimed
WO-2000066643-A1 METHOD FOR PRODUCING POLYURETHANE FOAMS BASF AKTIENGESELLSCHAFT (DE) 2000-11-09 WO claimed
EP-1187865-B1 METHOD FOR PRODUCING OF MATRESSES, UPHOLSTERIES FOR FURNITURE OR CARPET BACKINGS BASF AG (DE) 2005-11-09 EP disclosed
EP-1124893-B1 POLYISOCYANATE POLYADDITION PRODUCTS BASF AG (DE) 2004-12-22 EP disclosed
US-20040209969-A1 Polyisocyanate polyaddition products ARLT ANDREAS 2004-10-21 US disclosed
US-6794421-B2 comprising hydrophobic compounds plus at least one further compound and/or derivative thereof reactive toward primary amines, compound being selected from cyclic sulfonic esters and sulfones and mixtures thereof BASF AKTIENGESELLSCHAFT (DE) 2004-09-21 US disclosed
US-20030130366-A1 Polyisocyanate polyaddition products ARLT ANDREAS (DE) 2003-07-10 US disclosed