SCHEMBL5506993

SCHEMBL5506993

CCCC(=CCC(=O)O)CCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 3/20 0.50
HDAC3 O15379 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 2/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
CYP2D6 P10635 1/20 0.39
AKR1B1 P15121 1/20 0.39
GPR84 Q9NQS5 7/20 0.37
PPARG P37231 7/20 0.37
PPARD Q03181 7/20 0.37
PPARA Q07869 7/20 0.37
HDAC11 Q96DB2 5/20 0.37
TSHR P16473 5/20 0.37
PTPN1 P18031 3/20 0.37
TLR2 O60603 2/20 0.37
TDP1 Q9NUW8 2/20 0.37

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
SCHEMBL7353177 0.84 AKR1B1 (0.56) ALDH1A1ALOX15AKR1B1GPR84PPARG
SCHEMBL9011751 0.82 GPR84 (0.58) ALDH1A1ALOX15AKR1B1GPR84PPARG
SCHEMBL19426054 0.82 GPR84 (0.58) ALDH1A1ALOX15AKR1B1GPR84PPARG
SCHEMBL1594875 0.82 MEN1 (0.41) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL1594878 0.82 MEN1 (0.41) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL6026399 0.79 FFAR3 (0.47) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL21176641 0.78 FFAR3 (0.48) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL11055349 0.78 FFAR3 (0.48) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL26674024 0.78 AKR1B1 (0.43) ALDH1A1ALOX15CES2CES1AKR1B1
SCHEMBL29124288 0.73 FFAR3 (0.41) FFAR3HDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1795072-B1 Agents containing carboxylic acid and the use of the same in plant cultivation BASF SE (DE) 2016-02-17 EP disclosed
EP-1795072-A2 Agents containing carboxylic acid and the use of the same in plant cultivation BASF AKTIENGESELLSCHAFT (DE) 2007-06-13 EP disclosed
EP-1531675-B1 AGENTS CONTAINING CARBOXYLIC ACID AND THE USE OF THE SAME IN PLANT CULTIVATION BASF AG (DE) 2007-04-04 EP disclosed
EP-1531675-A1 AGENTS CONTAINING CARBOXYLIC ACID AND THE USE OF THE SAME IN PLANT CULTIVATION BASF AKTIENGESELLSCHAFT (DE) 2005-05-25 EP disclosed
WO-2004023875-A1 AGENTS CONTAINING CARBOXYLIC ACID AND THE USE OF THE SAME IN PLANT CULTIVATION BASF AKTIENGESELLSCHAFT (DE) 2004-03-25 WO disclosed
US-4585594-A CARBONYLATION OF ALLYL ALCOHOL DERIVATIVE BASF AKTIENGESELLSCHAFT (DE) 1986-04-29 US disclosed