SCHEMBL5248267

SCHEMBL5248267

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.50
TSHR P16473 3/20 0.43
CYP3A4 P08684 4/20 0.36
TDP1 Q9NUW8 2/20 0.36
ATM Q13315 1/20 0.36
CA2 P00918 4/20 0.33
ALDH1A1 P00352 4/20 0.33
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
GPR84 Q9NQS5 4/20 0.31
CA1 P00915 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
SCHEMBL5248016 0.87 RECQL (0.44) RECQLTSHRCA2GPR84CA1
SCHEMBL5247782 0.82 GPR84 (0.43) RECQLTSHRGPR84LMNAMAPK1
SCHEMBL5245593 0.82 GPR84 (0.43) RECQLTSHRGPR84LMNAMAPK1
SCHEMBL5244490 0.82 GPR84 (0.43) RECQLTSHRGPR84LMNAMAPK1
SCHEMBL5245402 0.82 GPR84 (0.43) RECQLTSHRGPR84LMNAMAPK1
SCHEMBL15610478 0.82 TSHR (0.39) RECQLTSHRCYP3A4TDP1ATM
SCHEMBL5147230 0.81 RECQL (0.51) RECQLTSHRCYP3A4TDP1ATM
SCHEMBL4325395 0.81 RECQL (0.50) RECQLTSHRCYP3A4TDP1ATM
SCHEMBL67642 0.78 RECQL (0.79) RECQLTSHRCYP3A4TDP1ATM
SCHEMBL9932775 0.77 RECQL (0.77) RECQLTSHRCYP3A4TDP1ATM

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