SCHEMBL11234657

SCHEMBL11234657

Oc1ccc(OCCCCCCCOc2ccc(O)cc2F)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
S1PR2 O95136 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
LPAR2 Q9HBW0 1/20 0.40
NR5A1 Q13285 1/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
CYSLTR2 Q9NS75 1/20 0.39

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
SCHEMBL25797851 1.00 THRA (0.43) THRATHRBL3MBTL1TDP1S1PR2
SCHEMBL25797919 1.00 THRA (0.43) THRATHRBL3MBTL1TDP1S1PR2
SCHEMBL11243691 0.98 L3MBTL1 (0.43) THRATHRBL3MBTL1TDP1S1PR2
SCHEMBL25797658 0.93 THRA (0.40) THRATHRBL3MBTL1TDP1S1PR2
SCHEMBL25797619 0.91 THRA (0.54) THRATHRBL3MBTL1TDP1S1PR2
SCHEMBL9641086 0.91 THRA (0.54) THRATHRBL3MBTL1TDP1S1PR2
SCHEMBL25901760 0.87 THRA (0.40) THRATHRBL3MBTL1TDP1S1PR2
SCHEMBL26551619 0.87 THRA (0.40) THRATHRBL3MBTL1TDP1S1PR2
SCHEMBL18487563 0.87 LTA4H (0.49) THRATHRBL3MBTL1TDP1S1PR2
SCHEMBL25798014 0.86 APP (0.40) LMNAKDM4EALDH1A1KMT2AKDR

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-4320144-A Fungicidal use of diphenyl esters of alkylenes GAF CORPORATION (US) 1982-03-16 US disclosed