SCHEMBL11575575

SCHEMBL11575575

COC(=O)CC=CC(C)(C)C(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
DGAT1 O75907 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TET2 Q6N021 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RECQL P46063 1/20 0.31

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
SCHEMBL17502382 0.82 DGAT1 (0.34) TSHRDGAT1HSD17B10MGAMGAA
SCHEMBL17502383 0.82 DGAT1 (0.34) TSHRDGAT1HSD17B10MGAMGAA
SCHEMBL30505577 0.81 TSHR (0.40) TSHRCYP4F2CYP4A11HSD17B10MGAM
SCHEMBL17502421 0.79 DGAT1 (0.35) DGAT1
SCHEMBL17502419 0.79 DGAT1 (0.35) DGAT1
SCHEMBL11748066 0.79 DGAT1 (0.35) TSHRDGAT1HSD17B10ALDH1A1
SCHEMBL13017864 0.79 DGAT1 (0.35) TSHRDGAT1HSD17B10ALDH1A1
SCHEMBL11748059 0.79 DGAT1 (0.35) TSHRDGAT1HSD17B10ALDH1A1
SCHEMBL9449125 0.78 DGAT1 (0.44) TSHRDGAT1ALDH1A1
SCHEMBL9449123 0.78 DGAT1 (0.44) TSHRDGAT1ALDH1A1

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-4171450-A Preparation of unsaturated diesters by catalytic oxidative carbonylation of diolefins ATLANTIC RICHFIELD COMPANY (US) 1979-10-16 US disclosed