SCHEMBL11243691

SCHEMBL11243691

Oc1ccc(OCCCCOc2ccc(O)cc2F)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
LMNA P02545 1/20 0.41
KDR P35968 1/20 0.39
ESR1 P03372 3/20 0.38
ESR2 Q92731 2/20 0.38
KDM4E B2RXH2 1/20 0.38
S1PR2 O95136 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
LPAR2 Q9HBW0 1/20 0.38
MRGPRX4 Q96LA9 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL25797919 0.98 THRA (0.43) L3MBTL1TDP1THRATHRBLMNA
SCHEMBL11234657 0.98 THRA (0.43) L3MBTL1TDP1THRATHRBLMNA
SCHEMBL25797851 0.98 THRA (0.43) L3MBTL1TDP1THRATHRBLMNA
SCHEMBL25797658 0.91 THRA (0.40) L3MBTL1TDP1THRATHRBLMNA
SCHEMBL25797619 0.89 THRA (0.54) L3MBTL1TDP1THRATHRBESR1
SCHEMBL9641086 0.89 THRA (0.54) L3MBTL1TDP1THRATHRBESR1
SCHEMBL18487563 0.89 LTA4H (0.49) L3MBTL1TDP1THRATHRBLMNA
SCHEMBL25798014 0.88 APP (0.40) LMNAKDRESR1ESR2KDM4E
SCHEMBL25901760 0.85 THRA (0.40) L3MBTL1TDP1THRATHRBLMNA
SCHEMBL26551619 0.85 THRA (0.40) L3MBTL1TDP1THRATHRBLMNA

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