SCHEMBL28339351

SCHEMBL28339351

CCCCCCCCNc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.45
ALDH1A1 P00352 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
NR5A2 O00482 1/20 0.43
NR5A1 Q13285 1/20 0.43
CA2 P00918 3/20 0.42
CA1 P00915 2/20 0.42
KMT2A Q03164 1/20 0.42
ABL1 P00519 1/20 0.42
GSR P00390 2/20 0.41
POLB P06746 1/20 0.41
TYR P14679 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GPR84 Q9NQS5 4/20 0.41
CNR2 P34972 1/20 0.41
ADRA2A P08913 1/20 0.40
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.38
HPN P05981 1/20 0.38

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
SCHEMBL10621223 0.98 GAA (0.46) GAAALDH1A1TDP1NR5A2NR5A1
SCHEMBL31438700 0.93 GAA (0.50) GAAALDH1A1TDP1CA2CA1
SCHEMBL9181112 0.88 GSR (0.46) GAAALDH1A1TDP1CA2CA1
SCHEMBL9179986 0.87 GSR (0.45) GAAALDH1A1TDP1CA2CA1
SCHEMBL9183673 0.87 GSR (0.45) GAAALDH1A1TDP1CA2CA1
SCHEMBL9177808 0.86 GSR (0.47) GAAALDH1A1TDP1CA2CA1
SCHEMBL27557190 0.86 ALDH1A1 (0.50) GAAALDH1A1TDP1NR5A2NR5A1
Hydrochloric Acid SCHEMBL14603470 0.84 GAA (0.49) GAAALDH1A1TDP1NR5A2NR5A1
SCHEMBL9179960 0.83 GSR (0.47) GAAALDH1A1TDP1CA2CA1
SCHEMBL9179281 0.81 GAA (0.46) GAAALDH1A1TDP1CA2CA1

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-110461962-A Photocurable hardcoat compositions, methods, and articles derived therefrom BASF SE 2019-11-15 CN disclosed