SCHEMBL5324009

SCHEMBL5324009

CCCCC(CC)CC(S)C(=O)O.CCCCC(CC)CC(S)C(=O)O.CCCCC(CC)CC(S)C(=O)O.CCCCCCCC[SnH]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.40
MAPK1 P28482 1/20 0.40
GPR84 Q9NQS5 3/20 0.39
FFAR1 O14842 1/20 0.39
RNPEP Q9H4A4 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
LCK P06239 1/20 0.38
PPARD Q03181 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
TSHR P16473 2/20 0.36
GRIK1 P39086 1/20 0.36
GRIK2 Q13002 1/20 0.36
CYP3A4 P08684 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35

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
SCHEMBL6361967 0.94 CA2 (0.42) CA2MAPK1GPR84RNPEPALDH1A1
SCHEMBL211376 0.89 CA2 (0.46) CA2MAPK1GPR84RNPEPALDH1A1
SCHEMBL424113 0.89 CA2 (0.48) CA2MAPK1GPR84FFAR1RNPEP
Hydrogen Sulfide SCHEMBL8850278 0.87 CA2 (0.47) CA2MAPK1GPR84RNPEPALDH1A1
SCHEMBL28958204 0.84 CA2 (0.44) CA2MAPK1RNPEPALDH1A1LCK
Phosphoric Acid SCHEMBL4891228 0.83 CA2 (0.43) CA2MAPK1RNPEPALDH1A1TSHR
SCHEMBL11207144 0.80 GPR84 (0.50) GPR84FFAR1RNPEPMAPTLCK
SCHEMBL6266754 0.80 TSHR (0.46) CA2MAPK1ALDH1A1TSHRCYP3A4
SCHEMBL8931815 0.79 CA2 (0.40) CA2MAPK1GPR84FFAR1RNPEP
SCHEMBL6465614 0.77 GPR84 (0.50) GPR84FFAR1RNPEPMAPTLCK

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-1685174-A1 METHOD FOR THE PRODUCTION OF PREPOLYMERS CONTAINING ISOCYANATE GROUPS BASF AKTIENGESELLSCHAFT (DE) 2006-08-02 EP claimed
WO-2005042604-A1 METHOD FOR THE PRODUCTION OF PREPOLYMERS CONTAINING ISOCYANATE GROUPS BASF AKTIENGESELLSCHAFT (DE) 2005-05-12 WO claimed
WO-2012143794-A1 POLYMER STABILIZER SYSTEM FOR POLYMERS CONTAINING HALOGEN GALATA CHEMICALS GMBH (DE) 2012-10-26 WO disclosed
WO-2007090376-A1 LOW-EMISSION POLYURETHANES Fachhochschule Münster (DE) 2007-08-16 WO disclosed
EP-1685174-A1 METHOD FOR THE PRODUCTION OF PREPOLYMERS CONTAINING ISOCYANATE GROUPS BASF AKTIENGESELLSCHAFT (DE) 2006-08-02 EP disclosed
WO-2005042604-A1 METHOD FOR THE PRODUCTION OF PREPOLYMERS CONTAINING ISOCYANATE GROUPS BASF AKTIENGESELLSCHAFT (DE) 2005-05-12 WO disclosed
EP-1215223-A1 Composite elements containing polyisocyanate-polyaddition products BASF AKTIENGESELLSCHAFT (DE) 2002-06-19 EP disclosed
US-5731361-A Production of chlorofluorocarbon-free, urethane-containing moldings having a cellular core and an integral skin BASF AKTIENGESELLSCHAFT (DE) 1998-03-24 US disclosed