SCHEMBL6662033

SCHEMBL6662033

CCc1ccc(C(F)(F)OC(C)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
PDE2A O00408 1/20 0.41
IDO1 P14902 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CASR P41180 2/20 0.37
KCNH2 Q12809 2/20 0.37
TMEM97 Q5BJF2 2/20 0.37
FFAR1 O14842 2/20 0.36
PPARG P37231 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL6667003 0.89 LMNA (0.46) ALDH1A1MEN1KMT2ACASRTSHR
SCHEMBL6660765 0.88 MEN1 (0.42) ALDH1A1PDE2AIDO1MEN1KMT2A
SCHEMBL6666034 0.88 TSHR (0.34) ALDH1A1MEN1KMT2AKCNH2TMEM97
SCHEMBL6664947 0.87 PDE2A (0.44) ALDH1A1PDE2APPARGTSHR
SCHEMBL6666975 0.84 FAAH (0.43) ALDH1A1LMNA
SCHEMBL6662930 0.84 PPARG (0.35) MEN1KMT2APPARGMAPK1L3MBTL1
SCHEMBL6661858 0.84 HTR2A (0.40) ALDH1A1PDE2AMEN1KMT2AKCNH2
SCHEMBL6661170 0.84 CYP2A6 (0.51) ALDH1A1TSHRMAPK1ATMTDP1
SCHEMBL6661128 0.83 KMT2A (0.36) ALDH1A1PDE2AMEN1KMT2AKCNH2
SCHEMBL6664134 0.82 ALDH1A1 (0.35) ALDH1A1PDE2ACASRTSHRMAPK1

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