SCHEMBL7945136

SCHEMBL7945136

CCC(CC)COC(=O)c1ccc(O)cc1F

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.49
CA12 O43570 3/20 0.49
CA1 P00915 3/20 0.49
CA7 P43166 3/20 0.49
CA9 Q16790 3/20 0.49
CA14 Q9ULX7 3/20 0.49
ALDH1A1 P00352 4/20 0.48
TSHR P16473 2/20 0.48
MAPK1 P28482 1/20 0.48
CYP3A4 P08684 1/20 0.47
LMNA P02545 1/20 0.46
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
SERPINE1 P05121 1/20 0.44
ADRB2 P07550 3/20 0.39
ADRB1 P08588 3/20 0.39
ADRB3 P13945 3/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL17912403 0.88 CA2 (0.49) CA2CA12CA1CA7CA9
SCHEMBL9340876 0.87 MAPT (0.49) CA2CA12CA1CA7CA9
SCHEMBL7129984 0.87 MAPT (0.49) CA2CA12CA1CA7CA9
SCHEMBL7129989 0.87 MAPT (0.49) CA2CA12CA1CA7CA9
SCHEMBL17912418 0.85 ALDH1A1 (0.56) CA2CA12CA1CA7CA9
SCHEMBL927276 0.83 CA12 (0.70) CA2CA12CA1CA7CA9
SCHEMBL7945142 0.81 ALDH1A1 (0.44) CA2ALDH1A1TSHRMAPK1CYP3A4
SCHEMBL6547027 0.79 CA12 (0.46) CA2CA12CA1CA7CA9
SCHEMBL6547031 0.79 CA12 (0.46) CA2CA12CA1CA7CA9
SCHEMBL7760866 0.79 CA12 (0.47) CA2CA12CA1CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6258296-B1 HAS SMALL SPONTANEOUS POLARIZATION AND HAS EXCELLENT RESPONSE CHARACTERISTICS FOR MAKING HIGH QUALITY FERRIELECTRIC LIQUID CRYSTAL DISPLAY DEVICE MITSUBISHI GAS CHEMICAL COMPANY INC (JP) 2001-07-10 US disclosed
EP-1008585-A1 FLUORINE-SUBSTITUTED COMPOUNDS AND FERRIELECTRIC LIQUID-CRYSTAL COMPOSITION CONTAINING THE SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2000-06-14 EP disclosed
JP-2000016970-A SWALLOW TAIL-TYPE COMPOUND AND FERRIDIELECTRIC LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME MITSUBISHI GAS CHEM CO INC 2000-01-18 JP disclosed