SCHEMBL6436484

SCHEMBL6436484

C=CCN(CC=C)C(=O)C=CC(=O)N(CC=C)CC=C

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.38
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
POLB P06746 1/20 0.35
DPP4 P27487 1/20 0.34
LMNA P02545 3/20 0.33
MAPT P10636 2/20 0.33
KCNH2 Q12809 1/20 0.32
HPGD P15428 2/20 0.32
ALOX12 P18054 1/20 0.32
CCR6 P51684 1/20 0.32
CYP1A2 P05177 1/20 0.31
ABCC4 O15439 1/20 0.31
ZDHHC20 Q5W0Z9 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL6436482 1.00 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2PTGS1PTGS2POLB
SCHEMBL9360173 0.93 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2PTGS1PTGS2POLB
SCHEMBL5614148 0.93 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2PTGS1PTGS2POLB
SCHEMBL5614150 0.93 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2PTGS1PTGS2POLB
SCHEMBL10954337 0.91 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2PTGS1PTGS2POLB
SCHEMBL11866332 0.89 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2PTGS1PTGS2POLB
SCHEMBL10957657 0.87 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2PTGS1PTGS2POLB
SCHEMBL10954326 0.87 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2PTGS1PTGS2POLB
SCHEMBL10954343 0.87 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2PTGS1PTGS2POLB
SCHEMBL11460540 0.85 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2PTGS1PTGS2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1179024-B1 ORGANOBORANE AMINE COMPLEX INITIATOR SYSTEMS AND POLYMERIZABLE COMPOSITIONS MADE THEREWITH 3M INNOVATIVE PROPERTIES CO (US) 2005-03-16 EP claimed
US-20020040116-A1 Organoborane amine complex initiator systems and polymerizable compositions made therewith 3M INNOVATIVE PROPERTIES COMPANY 2002-04-04 US claimed
US-6252023-B1 MIXTURE WITH UNSATURATED DIESTER OR DIAMIDE COMPOUND 3M INNOVATIVE PROPERTIES COMPANY 2001-06-26 US claimed
EP-1179024-B1 ORGANOBORANE AMINE COMPLEX INITIATOR SYSTEMS AND POLYMERIZABLE COMPOSITIONS MADE THEREWITH 3M INNOVATIVE PROPERTIES CO (US) 2005-03-16 EP disclosed
US-6384165-B1 TO INITIATE POLYMERIZATION OF ACRYLIC MONOMER AND TO FORM AN ACRYLIC ADHESIVE THAT HAS EXCEPTIONALLY GOOD ADHESION TO LOW SURFACE ENERGY POLYMERS 3M INNOVATIVE PROPERTIES CO. 2002-05-07 US disclosed
US-20020040116-A1 Organoborane amine complex initiator systems and polymerizable compositions made therewith 3M INNOVATIVE PROPERTIES COMPANY 2002-04-04 US disclosed
US-6252023-B1 MIXTURE WITH UNSATURATED DIESTER OR DIAMIDE COMPOUND 3M INNOVATIVE PROPERTIES COMPANY 2001-06-26 US disclosed