SCHEMBL8066375

SCHEMBL8066375

COC(=O)c1cc(OC(C)C)c(Cl)cc1F

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.44
MAPT P10636 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PPOX P50336 2/20 0.43
HTT P42858 1/20 0.42
GAA P10253 2/20 0.41
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
SCN9A Q15858 2/20 0.39
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ULK1 O75385 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
MAP2 P11137 1/20 0.37

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
SCHEMBL7482306 0.86 RORC (0.48) RORCMAPTNPC1RAB9APPOX
SCHEMBL7489023 0.84 ALDH1A1 (0.44) RORCMAPTNPC1RAB9APPOX
SCHEMBL8067926 0.84 GAA (0.53) MAPTNPC1RAB9AHTTGAA
SCHEMBL70148 0.83 CA12 (0.40) HTTGAASMN1; SMN2LMNAKDM4E
SCHEMBL72129 0.82 KDM4E (0.38) MAPTHTTLMNASCN9AKCNQ3
SCHEMBL26814516 0.82 KDM4E (0.49) MAPTGAAHPGDLMNAKDM4E
SCHEMBL17034723 0.82 HTT (0.48) RORCMAPTNPC1RAB9AHTT
SCHEMBL7481038 0.81 RORC (0.39) RORCMAPTNPC1RAB9APPOX
SCHEMBL26236304 0.80 GAA (0.50) MAPTNPC1RAB9AHTTGAA
SCHEMBL3661787 0.80 HTT (0.46) RORCHTTGAAHPGDSMN1; SMN2

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
JP-2000239234-A BENZOIC ESTER DERIVATIVE AND ITS INTERMEDIATE AND THEIR PRODUCTION NIPPON NOHYAKU CO LTD 2000-09-05 JP disclosed