SCHEMBL10737754

SCHEMBL10737754

CCOc1ccc(C(C)(C)CCCc2ccc(F)c(Oc3ccccc3)c2)cc1C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
VDR P11473 2/20 0.39
FFAR4 Q5NUL3 3/20 0.37
FFAR1 O14842 2/20 0.37
ESR1 P03372 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 2/20 0.34
TTR P02766 1/20 0.34
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.34
PPARG P37231 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL10739731 0.93 L3MBTL1 (0.37) L3MBTL1LMNATTRMAPTATM
SCHEMBL10739757 0.91 VDR (0.34) VDRFFAR4FFAR1L3MBTL1LMNA
SCHEMBL10546364 0.90 CALM1 (0.44) TTR
SCHEMBL10547822 0.90 FFAR1 (0.38) FFAR1L3MBTL1TTRMAPTATM
SCHEMBL10547396 0.90 MAPT (0.36) L3MBTL1LMNATTRMAPTATM
SCHEMBL393264 0.89 LTA4H (0.43) L3MBTL1LMNAMAPTATMPPARG
SCHEMBL10547659 0.88 TTR (0.34) VDRTTRPPARGPPARDPPARA
SCHEMBL10549307 0.88 L3MBTL1 (0.40) L3MBTL1PPARG
SCHEMBL10548739 0.87 PPARG (0.36) TTRPPARGPPARDPPARA
SCHEMBL10543680 0.86 TTR (0.36) TTRPPARG

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
US-4661501-A Certain aryl-alkane-2-pyridyloxy-phenyl derivatives having insecticidal and acaricidal activity MITSUI TOATSU CHEMICALS, INC. (JP) 1987-04-28 US disclosed