SCHEMBL9711446

SCHEMBL9711446

N#CCOc1ccc2cc(Oc3c(F)cc(C(F)(F)F)cc3Cl)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.35
PLA2G7 Q13093 4/20 0.33
THRB P10828 3/20 0.33
SYK P43405 1/20 0.33
HTR2A P28223 2/20 0.33
SLC6A4 P31645 2/20 0.33
KCNH2 Q12809 2/20 0.33
MRGPRX4 Q96LA9 1/20 0.32
AR P10275 2/20 0.32
SCN9A Q15858 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
XBP1 P17861 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP3A4 P08684 1/20 0.32
PPARG P37231 1/20 0.32
THRA P10827 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL9714062 0.80 AR (0.36) PLA2G7THRBHTR2ASLC6A4KCNH2
SCHEMBL9711431 0.79 RAB9A (0.42) THRBTHRA
SCHEMBL9750971 0.78 PTPN7 (0.48) THRBMRGPRX4PPARGTHRASMN1; SMN2
SCHEMBL10523904 0.78 HTR2A (0.39) THRBHTR2ASLC6A4KCNH2AR
SCHEMBL9640700 0.77 THRB (0.37) PLA2G7THRBMRGPRX4KDM4ETHRA
SCHEMBL11041547 0.77 KIF11 (0.41) MRGPRX4ARSCN9AKDM4E
SCHEMBL10441387 0.77 TLR7 (0.35) PLA2G7THRBTDP1CYP3A4PPARG
SCHEMBL9634929 0.77 RAB9A (0.41) THRBKDM4EALDH1A1MAPTHPGD
SCHEMBL9488250 0.77 CYP3A4 (0.33) THRBMRGPRX4ALDH1A1MAPTTDP1
SCHEMBL9794574 0.76 MTNR1A (0.35) THRBHTR2AARHPGDTHRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0315008-B1 DERIVATIVES OF (6-(HETERO)ARYLOXY-NAPHTHALIN-2-YL-OXY)ALCANOIC ACID BAYER AG (DE) 1992-09-09 EP disclosed
US-5079384-A Weed killers, destroy broad leaf plants, postemergence BAYER AKTIENGESELLSCHAFT (DE) 1992-01-07 US disclosed
EP-0315008-A2 Derivatives of (6-(hetero)aryloxy-naphthalin-2-yl-oxy)alcanoic acid BAYER AG (DE) 1989-05-10 EP disclosed