SCHEMBL7604332

SCHEMBL7604332

CC(C)OCC[C@@H](C)C(=O)c1ccc(O)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.40
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA7 P43166 4/20 0.40
CA9 Q16790 4/20 0.40
CA14 Q9ULX7 4/20 0.40
LMNA P02545 3/20 0.36
GAA P10253 1/20 0.36
ESRRG P62508 1/20 0.36
SERPINE1 P05121 1/20 0.36
MAOB P27338 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
PPARG P37231 1/20 0.35
DEGS1 O15121 1/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
MAOA P21397 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
SCHEMBL7604329 1.00 CA12 (0.40) CA12CA1CA2CA7CA9
SCHEMBL7609261 0.82 PRSS1 (0.40) MAOBMAPTMAOAALDH1A1MAPK1
SCHEMBL7609263 0.82 PRSS1 (0.40) MAOBMAPTMAOAALDH1A1MAPK1
SCHEMBL9440198 0.78 HTT (0.44) CA1LMNAKMT2AMEN1CYP3A4
SCHEMBL9440247 0.78 HTT (0.44) CA1LMNAKMT2AMEN1CYP3A4
SCHEMBL176957 0.75 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL6936706 0.72 SERPINE1 (0.53) CA12CA1CA2CA7CA9
SCHEMBL11916367 0.71 HSP90AB1 (0.43) CA12CA1CA2CA7CA9
SCHEMBL3501242 0.70 CES2 (0.43) CA12CA1CA2CA7CA9
SCHEMBL29799863 0.69 MAOB (0.50) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0994098-B1 Ferrielectric liquid crystal compound MITSUBISHI GAS CHEMICAL CO (JP) 2002-11-06 EP disclosed
US-6197216-B1 BROAD TEMPERATURE RANGE; HIGH-SPEED OPTICAL RESPONSE IN SPITE OF A SMALL SPONTANEOUS POLARIZATION; USE IN AN ACTIVE MATRIX-TYPE LIQUID CRYSTAL DISPLAY DEVICE IN WHICH A LIQUID CRYSTAL IS DRIVEN FOR EACH PIXEL INDEPENDENTLY MITSUBISHI GAS CHEMICAL CO INC (JP) 2001-03-06 US disclosed
EP-0994098-A1 Ferrielectric liquid crystal compound MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2000-04-19 EP disclosed
JP-2000109451-A FERRIELECTRIC LIQUID CRYSTAL COMPOUND MITSUBISHI GAS CHEM CO INC 2000-04-18 JP disclosed