SCHEMBL5953654

SCHEMBL5953654

CCOc1ccc(O)c(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 3/20 0.45
NQO1 P15559 1/20 0.45
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 3/20 0.43
PDK2 Q15119 2/20 0.43
LTA4H P09960 1/20 0.43
AR P10275 3/20 0.43
LMNA P02545 3/20 0.41
ATM Q13315 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 2/20 0.40
PAX8 Q06710 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
GAA P10253 1/20 0.40
XBP1 P17861 1/20 0.40
HPGD P15428 2/20 0.40
ALOX15 P16050 2/20 0.40
RECQL P46063 2/20 0.40

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
SCHEMBL8635710 0.90 LTA4H (0.54) MAPTALDH1A1HSD17B10NQO1KMT2A
SCHEMBL8634042 0.89 MAPK1 (0.51) MAPTALDH1A1HSD17B10KMT2AKDM4E
SCHEMBL8634842 0.85 ESRRA (0.50) MAPTARLMNAATML3MBTL1
SCHEMBL5083160 0.84 ALDH1A1 (0.56) MAPTALDH1A1HSD17B10NQO1KDM4E
SCHEMBL25797626 0.82 THRA (0.57) PDK2LTA4HATML3MBTL1NPSR1
SCHEMBL9150596 0.82 ALDH1A1 (0.45) MAPTALDH1A1HSD17B10NQO1KMT2A
SCHEMBL10088500 0.81 NQO1 (0.43) MAPTALDH1A1NQO1KMT2AKDM4E
SCHEMBL14949902 0.80 NQO1 (0.46) MAPTALDH1A1HSD17B10NQO1KMT2A
SCHEMBL6832255 0.80 NQO1 (0.46) MAPTNQO1KMT2AKDM4EPDK2
SCHEMBL12762091 0.80 NQO1 (0.46) MAPTALDH1A1HSD17B10NQO1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7070838-B2 Liquid crystalline compound, liquid crystal composition and their polymers CHISSO PETROCHEMICAL CORPORATION (JP) 2006-07-04 US disclosed
US-20050007541-A1 Liquid crystalline compound, liquid crystal composition and their polymers JNC PETROCHEMICAL CORPORATION (JP) 2005-01-13 US disclosed