SCHEMBL4117802

SCHEMBL4117802

CCCCC(CC)(CC(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.39
FFAR1 O14842 2/20 0.39
CPT2 P23786 1/20 0.39
HSPD1 P10809 1/20 0.39
BLM P54132 1/20 0.39
HSPE1 P61604 1/20 0.39
TSHR P16473 5/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
AKR1B1 P15121 1/20 0.38
GPR84 Q9NQS5 7/20 0.37
PPARG P37231 6/20 0.37
PPARD Q03181 6/20 0.37
PPARA Q07869 6/20 0.37
HDAC11 Q96DB2 5/20 0.37
ALDH1A1 P00352 2/20 0.37
TLR2 O60603 2/20 0.37
FABP4 P15090 2/20 0.37
PTPN1 P18031 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
SCHEMBL26089823 0.92 TDP1 (0.45) TDP1FFAR1CPT2HSPD1BLM
SCHEMBL19690461 0.92 TDP1 (0.45) TDP1FFAR1CPT2HSPD1BLM
SCHEMBL688857 0.92 TDP1 (0.45) TDP1FFAR1CPT2HSPD1BLM
SCHEMBL11390308 0.92 TDP1 (0.45) TDP1FFAR1CPT2HSPD1BLM
SCHEMBL285165 0.91 TDP1 (0.41) TDP1FFAR1CPT2HSPD1BLM
SCHEMBL27938400 0.89 TDP1 (0.40) TDP1FFAR1CPT2HSPD1BLM
SCHEMBL28313255 0.88 TDP1 (0.43) TDP1FFAR1CPT2HSPD1BLM
SCHEMBL2231044 0.87 CYP2D6 (0.41) TDP1FFAR1CPT2HSPD1BLM
SCHEMBL392507 0.87 CYP4F2 (0.39) TDP1FFAR1TSHRAKR1B1GPR84
SCHEMBL28125208 0.87 CYP4F2 (0.39) TDP1FFAR1TSHRAKR1B1GPR84

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
US-20090090048-A1 Fuel compositions with mono- or di- butyl succinate and method of use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2009-04-09 US disclosed