SCHEMBL9720225

SCHEMBL9720225

CC(C)C(=O)O.CCOC(=O)C(C)(C)C(C)(C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.42
CYP4F2 P78329 3/20 0.37
CYP4A11 Q02928 3/20 0.37
PKM P14618 3/20 0.35
PIN1 Q13526 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
THRB P10828 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ABCB11 O95342 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
HTR2A P28223 1/20 0.33
PMP22 Q01453 1/20 0.33
PPARA Q07869 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL11077055 0.90 CYP4F2 (0.42) MMP8CYP4F2CYP4A11PKMPIN1
SCHEMBL1785998 0.81 ALDH1A1 (0.50) MMP8CYP4F2CYP4A11PKMPIN1
SCHEMBL23643529 0.80 MMP8 (0.44) MMP8CYP4F2CYP4A11PKMPIN1
SCHEMBL31674074 0.72 MMP8 (0.44) MMP8CYP4F2CYP4A11PKMPIN1
SCHEMBL27874000 0.72 ALDH1A1 (0.68) ALDH1A1LMNAHSD17B10ALOX15
SCHEMBL8160225 0.72 ALDH1A1 (0.46) MMP8CYP4F2CYP4A11PKMPIN1
Lactic Acid SCHEMBL6834392 0.71 TP53 (0.44) MMP8CYP4F2CYP4A11PKMPIN1
SCHEMBL18489636 0.71 MAPT (0.34)
SCHEMBL19256111 0.71 MMP8 (0.56) MMP8CYP4F2CYP4A11PKMPIN1
Triethyl Citrate SCHEMBL9837388 0.70 GAA (0.39) MMP8CYP4F2CYP4A11PKMPIN1

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-5104503-A Radiation in presence of group 2b metal YALE UNIVERSITY (US) 1992-04-14 US disclosed