SCHEMBL5616874

SCHEMBL5616874

CC1(c2ccc(F)cc2)OCCO1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
LMNA P02545 3/20 0.54
MEN1 O00255 1/20 0.54
PABPC1 P11940 1/20 0.54
KMT2A Q03164 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.43
SLC6A3 Q01959 3/20 0.42
SLC6A2 P23975 2/20 0.42
CHRNA1 P02708 1/20 0.42
CHRNG P07510 1/20 0.42
CHRNB1 P11230 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
CHRND Q07001 1/20 0.42
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39
TSHR P16473 2/20 0.38
CYP11B1 P15538 1/20 0.37

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
SCHEMBL22613508 0.81 ALDH1A1 (0.45) SMN1; SMN2LMNAMEN1PABPC1KMT2A
SCHEMBL2082178 0.79 LMNA (0.42) SMN1; SMN2LMNAMEN1PABPC1KMT2A
SCHEMBL1932565 0.77 TSHR (0.38) SMN1; SMN2LMNAMEN1PABPC1KMT2A
SCHEMBL3884112 0.77 CYP19A1 (0.40) SMN1; SMN2LMNAMEN1PABPC1KMT2A
SCHEMBL2262224 0.77 TSHR (0.38) SMN1; SMN2LMNAMEN1PABPC1KMT2A
SCHEMBL587682 0.77 TAAR1 (0.42) SMN1; SMN2LMNAMEN1PABPC1KMT2A
SCHEMBL4588500 0.77 ESR2 (0.41) SMN1; SMN2LMNAMEN1PABPC1KMT2A
SCHEMBL9047543 0.77 TSHR (0.38) SMN1; SMN2LMNAMEN1PABPC1KMT2A
SCHEMBL2084415 0.77 LMNA (0.54) SMN1; SMN2LMNAMEN1PABPC1KMT2A
SCHEMBL23951432 0.77 SMN1; SMN2 (0.43) SMN1; SMN2LMNAMEN1PABPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007057658-A1 PALLADIUM CATALYSED HECK ARYLATION OR VINYLATION OF 1-SUBSTITUTED OLEFINS THE UNIVERSITY OF LIVERPOOL (GB) 2007-05-24 WO disclosed
WO-2007057658-A1 PALLADIUM CATALYSED HECK ARYLATION OR VINYLATION OF 1-SUBSTITUTED OLEFINS THE UNIVERSITY OF LIVERPOOL (GB) 2007-05-24 WO disclosed