SCHEMBL8730908

SCHEMBL8730908

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.34
MMP8 P22894 3/20 0.33
ADAM17 P78536 2/20 0.32
KISS1R Q969F8 3/20 0.32
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RNPEP Q9H4A4 1/20 0.31
SLC7A5 Q01650 1/20 0.31
MMP2 P08253 3/20 0.31
MMP1 P03956 2/20 0.31
MMP3 P08254 2/20 0.31
MMP7 P09237 2/20 0.31
MMP9 P14780 2/20 0.31
MMP20 O60882 1/20 0.31
ADAMTS4 O75173 1/20 0.31
TNF P01375 1/20 0.31
MMP10 P09238 1/20 0.31
MMP12 P39900 1/20 0.31
MMP13 P45452 1/20 0.31
MMP14 P50281 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
SCHEMBL29188688 0.80 ADAM17 (0.36) DGAT1MMP8ADAM17KISS1RMMP2
SCHEMBL18561866 0.80
SCHEMBL892409 0.78 CTRB1 (0.36) MMP8KISS1RCYP2C19ALDH1A1RNPEP
SCHEMBL12696672 0.77 CETP (0.36) DGAT1
Hydrochloric Acid SCHEMBL12610545 0.75 CETP (0.34) DGAT1
SCHEMBL65055 0.75 DGAT1 (0.41) DGAT1MMP8ALDH1A1
SCHEMBL2185566 0.75 DGAT1 (0.41) DGAT1MMP8ALDH1A1
SCHEMBL2184251 0.75 DGAT1 (0.41) DGAT1MMP8ALDH1A1
SCHEMBL12696681 0.73 DGAT1 (0.33) DGAT1
Ammonia Solution, Strong SCHEMBL27748277 0.73 DGAT1 (0.39) DGAT1ALDH1A1

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
EP-0614871-B1 Process for producing optically active beta-hydroxyketone TAKASAGO PERFUMERY CO LTD (JP) 1998-06-10 EP disclosed