SCHEMBL9566679

SCHEMBL9566679

CC(C)CCOc1c(F)c(F)cc(C(=O)O)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.46
THRB P10828 2/20 0.46
MAPK1 P28482 1/20 0.44
HTT P42858 3/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 1/20 0.38
RARB P10826 1/20 0.37
CCNB2 O95067 1/20 0.36
CCNE2 O96020 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
CDK7 P50613 1/20 0.36
CCNH P51946 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
EPHX2 P34913 1/20 0.36
NR1H4 Q96RI1 2/20 0.36

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
SCHEMBL8595728 0.83 MAPT (0.41) THRATHRBHTTMAPTKDM4E
SCHEMBL8589991 0.82 RARB (0.48) THRATHRBHTTMAPTRARB
SCHEMBL8990656 0.81 PLA2G2A (0.45) THRATHRBRARB
SCHEMBL8593509 0.80 TSHR (0.44) THRBHTTMAPTKDM4EALDH1A1
SCHEMBL9566681 0.79 PLA2G2A (0.48) THRATHRBRARB
SCHEMBL7007318 0.76 ALDH1A1 (0.46) HTTMAPTKDM4EALDH1A1
SCHEMBL607945 0.74 HSD17B10 (0.44) MAPK1HTTMAPTKDM4EALDH1A1
SCHEMBL8946844 0.74 MAPT (0.41) HTTMAPTKDM4EALDH1A1GAA
SCHEMBL2831144 0.74 HSD17B10 (0.39) MAPK1HTTMAPTKDM4EHSD17B10
SCHEMBL5648170 0.73 MAPK1 (0.59) MAPK1HTTRARBEPHX2NR1H4

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
EP-0545866-A1 Process for the preparation of trifluorobenzol derivatives CIBA-GEIGY AG (CH) 1993-06-09 EP disclosed