SCHEMBL5014489

SCHEMBL5014489

CCCCOOC(=O)C(CCC)CCCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.47
CA1 P00915 4/20 0.47
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
ADRA1A P35348 2/20 0.39
AKR1A1 P14550 1/20 0.39
HTR2A P28223 1/20 0.39

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
SCHEMBL1767485 0.96 CA2 (0.50) CA2CA1MAPK1ALDH1A1TDP1
SCHEMBL23466940 0.89 CA2 (0.61) CA2CA1MAPK1ALDH1A1TDP1
SCHEMBL5562344 0.89 CA2 (0.61) CA2CA1MAPK1ALDH1A1TDP1
SCHEMBL2517035 0.87 CA2 (0.59) CA2CA1MAPK1ALDH1A1TDP1
SCHEMBL27748158 0.87 CA2 (0.48) CA2CA1MAPK1HDAC1HDAC2
SCHEMBL29435138 0.85 CA2 (0.66) CA2CA1MAPK1ALDH1A1TDP1
SCHEMBL9499022 0.84 HDAC3 (0.44) CA2CA1HDAC1HDAC2HDAC7
SCHEMBL30589903 0.84 CA2 (0.40) CA2CA1TSHR
SCHEMBL6790204 0.84 CA2 (0.59) CA2CA1MAPK1TDP1ATM
SCHEMBL28878379 0.82 CA2 (0.52) CA2CA1MAPK1ALDH1A1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951428-A2 POROUS ORGANO-METALLIC SKELETON MATERIAL CONTAINING AN ADDITIONAL POLYMER BASF SE (DE) 2008-08-06 EP disclosed
WO-2007054581-A2 POROUS ORGANO-METALLIC SKELETON MATERIAL CONTAINING AN ADDITIONAL POLYMER BASF SE (DE) 2007-05-18 WO disclosed
WO-2001040365-A1 MATTED THERMOPLASTIC MOLDING MATERIALS BASF AKTIENGESELLSCHAFT (DE) 2001-06-07 WO disclosed
EP-0941281-A1 FLAME RESISTANT THERMOPLASTIC MOULDING MATERIALS BASF AKTIENGESELLSCHAFT (DE) 1999-09-15 EP disclosed
WO-1998023676-A1 FLAME RESISTANT THERMOPLASTIC MOULDING MATERIALS BASF AKTIENGESELLSCHAFT (DE) 1998-06-04 WO disclosed