SCHEMBL8570387

SCHEMBL8570387

CC(C)(CCCO)CC(=O)O

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.74
TDP1 Q9NUW8 2/20 0.74
CPT2 P23786 1/20 0.74
KDM4E B2RXH2 1/20 0.48
HMGCR P04035 1/20 0.44
CHRM1 P11229 1/20 0.44
TBXA2R P21731 1/20 0.44
ADRA1A P35348 1/20 0.44
CYP2C19 P33261 2/20 0.42
HIF1A Q16665 2/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
GPR84 Q9NQS5 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
BHMT Q93088 3/20 0.41
CAMK2A Q9UQM7 1/20 0.40
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38

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
SCHEMBL11104448 0.98 FFAR1 (0.78) FFAR1TDP1CPT2KDM4EHMGCR
SCHEMBL6697555 0.96 FFAR1 (0.83) FFAR1TDP1CPT2KDM4EHMGCR
SCHEMBL6698390 0.96 FFAR1 (0.83) FFAR1TDP1CPT2KDM4EHMGCR
SCHEMBL8037883 0.85 FFAR1 (1.00) FFAR1TDP1CPT2KDM4EHMGCR
SCHEMBL10891642 0.85 FFAR1 (0.65) FFAR1TDP1CPT2KDM4EHMGCR
SCHEMBL1832938 0.85 FFAR1 (1.00) FFAR1TDP1CPT2KDM4EHMGCR
SCHEMBL5523390 0.85 FFAR1 (1.00) FFAR1TDP1CPT2KDM4EHMGCR
SCHEMBL186164 0.85 FFAR1 (1.00) FFAR1TDP1CPT2KDM4EHMGCR
SCHEMBL1834211 0.85 FFAR1 (1.00) FFAR1TDP1CPT2KDM4EHMGCR
SCHEMBL3042960 0.85 TDP1 (0.60) FFAR1TDP1CPT2KDM4EHMGCR

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-5830936-A THERMAL STABILIZERS FOR POLYOLEFINS AND ENGINEERING PLASTICS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-11-03 US disclosed