SCHEMBL18271995

SCHEMBL18271995

CC(C)(C)c1cc(C2CC2)c(O)cc1OC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
ATP2A2 P16615 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ATP2A3 Q93084 1/20 0.33
KCNH2 Q12809 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CNR2 P34972 5/20 0.32
ATM Q13315 1/20 0.31

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
SCHEMBL16736712 0.79 EPHX1 (0.34) KCNH2TMEM97SIGMAR1
SCHEMBL18271996 0.79 ALOX15 (0.37) ALOX15LMNATP53CYP3A4HPGD
SCHEMBL18272103 0.79 ALOX15 (0.53) ALOX15LMNATP53CYP3A4HPGD
SCHEMBL18272175 0.78 CNR2 (0.33) CNR2
SCHEMBL18272071 0.77 ALDH1A1 (0.43) ALOX15LMNATP53CYP3A4HPGD
SCHEMBL18271902 0.76 ALDH1A1 (0.39) ALOX15LMNATP53CYP3A4HPGD
SCHEMBL18272170 0.75 SLC6A4 (0.32)
SCHEMBL16736668 0.75 KCNK3 (0.34) KCNH2TMEM97SIGMAR1CNR2
SCHEMBL18272081 0.74 ALDH1A1 (0.42) ALOX15LMNATP53CYP3A4HPGD
SCHEMBL18262842 0.72 ALDH1A1 (0.39) ALOX15LMNATP53CYP3A4HPGD

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
WO-2016190871-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS TANSNA THERAPEUTICS, INC. (US) 2016-12-01 WO disclosed