SCHEMBL9737895

SCHEMBL9737895

CC#CCOCC(O)CO

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.42
LMNA P02545 3/20 0.33
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 3/20 0.32
CYP1A2 P05177 2/20 0.32
AGTR1 P30556 1/20 0.32
DUSP3 P51452 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
AR P10275 1/20 0.30
CHRNA7 P36544 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL5691869 0.86 USP2 (0.43) USP2LMNAALDH1A1KDM4ECYP1A2
SCHEMBL11597347 0.83 ALDH1A1 (0.36) ALDH1A1KDM4EARCHRNA7TSHR
SCHEMBL5690805 0.82 USP2 (0.41) USP2LMNAALDH1A1CHRNA7
SCHEMBL5690786 0.80 USP2 (0.39) USP2LMNAALDH1A1CHRNA7
SCHEMBL10568086 0.78 USP2 (0.38) USP2LMNAALDH1A1CHRNA7
SCHEMBL11740863 0.77
Isobutane SCHEMBL27997158 0.76 USP2 (0.52) USP2LMNAALDH1A1KDM4ECYP1A2
SCHEMBL368683 0.75
SCHEMBL12764851 0.74
SCHEMBL16675568 0.74

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5153179-A Mixtures of drugs with 1-alkylglycerols MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFT E.V. (DE) 1992-10-06 US claimed
US-5153179-A Mixtures of drugs with 1-alkylglycerols MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFT E.V. (DE) 1992-10-06 US disclosed