SCHEMBL5248016

SCHEMBL5248016

C=CC(CCCC)OC(=O)C(CC(=O)O)S(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.44
TSHR P16473 3/20 0.36
GPR84 Q9NQS5 4/20 0.35
HPGD P15428 1/20 0.33
CA2 P00918 2/20 0.32
CA1 P00915 1/20 0.32
CYP1A2 P05177 3/20 0.31
MAPK1 P28482 3/20 0.31
MEN1 O00255 1/20 0.31
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
HSP90AA1 P07900 1/20 0.31
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
TP53 P04637 1/20 0.31
CYP2C9 P11712 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL5244490 0.94 GPR84 (0.43) RECQLTSHRGPR84CYP1A2MAPK1
SCHEMBL5245593 0.94 GPR84 (0.43) RECQLTSHRGPR84CYP1A2MAPK1
SCHEMBL5245402 0.94 GPR84 (0.43) RECQLTSHRGPR84CYP1A2MAPK1
SCHEMBL5247782 0.94 GPR84 (0.43) RECQLTSHRGPR84CYP1A2MAPK1
SCHEMBL5248267 0.87 RECQL (0.50) RECQLTSHRGPR84CA2CA1
SCHEMBL5411291 0.83 RECQL (0.45) RECQLTSHRGPR84LMNATP53
SCHEMBL3661047 0.81 GPR84 (0.38) RECQLTSHRGPR84CA2CA1
SCHEMBL1548069 0.81 GPR84 (0.38) RECQLTSHRGPR84CA2CA1
SCHEMBL4019198 0.79 RECQL (0.46) RECQLTSHRGPR84CYP1A2MAPK1
SCHEMBL3425435 0.79 RECQL (0.46) RECQLTSHRGPR84CA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781717-B1 COPOLYMER-CONTAINING CLEANING COMPOSITIONS HENKEL AG & CO KGAA (DE) 2012-11-07 EP disclosed
EP-1781717-A1 COPOLYMER-CONTAINING CLEANING COMPOSITIONS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-05-09 EP disclosed
WO-2006005358-A1 COPOLYMER-CONTAINING CLEANING COMPOSITIONS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-01-19 WO disclosed