SCHEMBL28175012

SCHEMBL28175012

CC(=O)OC1=C(C)C=CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
GLA P06280 3/20 0.33
PIM1 P11309 1/20 0.33
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
HSD17B10 Q99714 2/20 0.31
MAPT P10636 2/20 0.31
GAA P10253 2/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
ALPG P10696 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PREP P48147 1/20 0.31
POLB P06746 1/20 0.31
PKM P14618 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
SCHEMBL9357186 0.98 LMNA (0.36) LMNAGLAPIM1KDM4EALDH1A1
SCHEMBL10362940 0.80 LMNA (0.39) LMNAGLAKDM4EALDH1A1HPGD
SCHEMBL8530508 0.68 GLA (0.35) LMNAGLAPIM1
SCHEMBL11347582 0.67 LMNA (0.31) LMNA
Acetone SCHEMBL8663681 0.65
Acetic Acid SCHEMBL9357191 0.64 FFAR3 (0.30)
SCHEMBL1486823 0.64 LMNA (0.34) LMNAGLAPIM1KDM4EALDH1A1
SCHEMBL31648648 0.62
SCHEMBL7531500 0.62 PGR (0.42) LMNAGLAKDM4EALDH1A1HSD17B10
SCHEMBL9648799 0.62 ESR1 (0.38) LMNAGLAKDM4EALDH1A1HSD17B10

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
CN-107207457-A Cycloaliphatic epoxy and its manufacture method and the ring [4.2.1.0 of 2 hydroxyl, 4 oxa-, 5 thia three3,7] nonane derivatives manufacture method 株式会社大赛璐 2017-09-26 CN disclosed