SCHEMBL6662025

SCHEMBL6662025

CCc1ccc(C(F)(F)OCCc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.46
IDO1 P14902 2/20 0.44
MAOB P27338 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MIF P14174 1/20 0.39
MAPT P10636 1/20 0.39
KCNH2 Q12809 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
DAO P14920 1/20 0.38
PPARA Q07869 3/20 0.38
PPARD Q03181 2/20 0.38
ALDH1A1 P00352 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
SCHEMBL6666031 0.90 TAAR1 (0.37) TAAR1IDO1ALDH1A1
SCHEMBL6660763 0.90 TAAR1 (0.46) TAAR1IDO1MAOBMEN1KMT2A
SCHEMBL6667001 0.89 L3MBTL1 (0.45) TAAR1IDO1KMT2AALDH1A1
SCHEMBL6661853 0.86 FAAH (0.43) TAAR1IDO1ALDH1A1
SCHEMBL6664946 0.86 TSHR (0.42) MAPTDAOPPARAPPARDALDH1A1
SCHEMBL6666969 0.86 FAAH (0.47) MEN1KMT2AALDH1A1
SCHEMBL6661122 0.84 TAAR1 (0.37) TAAR1IDO1MEN1KMT2AALDH1A1
SCHEMBL6661164 0.83 CYP2A6 (0.54) MAOBKCNH2DAOPPARAPPARD
SCHEMBL6662924 0.82 EDNRB (0.40) MEN1KMT2ADAOPPARA
SCHEMBL6662044 0.82 DAO (0.35) TAAR1IDO1DAO

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-0893423-B1 LIQUID CRYSTAL COMPOUNDS HAVING FLUORINATED LINKAGES, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAY DEVICES CHISSO CORP (JP) 2004-09-01 EP disclosed