SCHEMBL9488169

SCHEMBL9488169

Cc1cc(C)c(C)c(Oc2ccccc2)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.48
TSHR P16473 2/20 0.48
KMT2A Q03164 4/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 3/20 0.42
GLA P06280 2/20 0.42
MAOB P27338 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CA4 P22748 1/20 0.39
NR1H2 P55055 1/20 0.38
BAX Q07812 1/20 0.38
MAOA P21397 1/20 0.38
HPGD P15428 3/20 0.38
MEN1 O00255 3/20 0.38
CYP2C9 P11712 1/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL13810999 0.83 LTA4H (0.55) LTA4HTSHRKMT2AMAPTKDM4E
SCHEMBL9486844 0.82 LTA4H (0.48) LTA4HTSHRKMT2AMAPTKDM4E
SCHEMBL12925863 0.79 LTA4H (0.57) LTA4HTSHRKMT2AMAOBSMN1; SMN2
SCHEMBL3331237 0.78 LTA4H (0.44) LTA4HTSHRKMT2ACYP1A2CYP2C19
SCHEMBL17628549 0.78 LTA4H (0.44) LTA4HTSHRKMT2AMAPTKDM4E
SCHEMBL11583506 0.77 LTA4H (0.48) LTA4HTSHRKMT2AMAPTKDM4E
SCHEMBL9064360 0.77 CYP3A4 (0.32) TSHRMAPK1
SCHEMBL2858541 0.77 KDM4E (0.43) LTA4HTSHRKMT2AMAPTKDM4E
SCHEMBL9487846 0.76 LTA4H (0.52) LTA4HTSHRKMT2AMAPTKDM4E
SCHEMBL8942482 0.76 LTA4H (0.46) LTA4HTSHRKMT2AMAPTKDM4E

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
US-5250657-A Process for preparing polyarylene thioether SEISAN KAIHATSU KAGAKU KENKYUSHO (JP) 1993-10-05 US disclosed
EP-0440106-A2 Process for preparing polyarylene thioethers SEISAN KAIHATSU KAGAKU KENKYUSHO (JP) 1991-08-07 EP disclosed