SCHEMBL9540353

SCHEMBL9540353

CCC(C)(CCCC(=O)O)CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.43
FFAR1 O14842 2/20 0.43
CPT2 P23786 1/20 0.43
AKR1B1 P15121 1/20 0.43
GPR84 Q9NQS5 7/20 0.41
PPARG P37231 7/20 0.41
PPARD Q03181 7/20 0.41
PPARA Q07869 7/20 0.41
HDAC11 Q96DB2 5/20 0.41
TSHR P16473 4/20 0.41
PTPN1 P18031 3/20 0.41
ALDH1A1 P00352 3/20 0.41
TLR2 O60603 2/20 0.41
FABP4 P15090 2/20 0.41
SLC22A6 Q4U2R8 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
ESR1 P03372 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL13564557 0.87 ALDH1A1 (0.47) TDP1FFAR1CPT2AKR1B1GPR84
SCHEMBL5518613 0.87 TDP1 (0.58) TDP1FFAR1CPT2GPR84PPARG
Adipic Acid SCHEMBL20592369 0.87 AKR1B1 (0.52) TDP1FFAR1AKR1B1GPR84PPARG
SCHEMBL11799928 0.85 TDP1 (0.45) TDP1FFAR1CPT2AKR1B1GPR84
SCHEMBL5879090 0.82 TDP1 (0.52) TDP1FFAR1CPT2GPR84PPARG
SCHEMBL5879003 0.82 TDP1 (0.52) TDP1FFAR1CPT2GPR84PPARG
SCHEMBL5879093 0.82 TDP1 (0.52) TDP1FFAR1CPT2GPR84PPARG
SCHEMBL5878829 0.82 TDP1 (0.52) TDP1FFAR1CPT2GPR84PPARG
SCHEMBL9569903 0.82 TDP1 (0.52) TDP1FFAR1CPT2GPR84PPARG
SCHEMBL16516194 0.81 GPR84 (0.54) TDP1FFAR1CPT2AKR1B1GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993007240-A1 PROCESS FOR PRODUCING FLUIDS OF ENHANCED THERMAL STABILITY EXXON CHEMICAL PATENTS INC. (US) 1993-04-15 WO disclosed