SCHEMBL8810102

SCHEMBL8810102

Fc1ccc(Oc2ccc(CNCCc3ccccc3)cc2)cc1

nearest known ligand 0.94

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.94
EPHX2 P34913 2/20 0.94
KDM4E B2RXH2 1/20 0.70
ALDH1A1 P00352 1/20 0.70
OPRM1 P35372 3/20 0.64
OPRD1 P41143 2/20 0.64
OPRK1 P41145 2/20 0.64
BCHE P06276 4/20 0.63
GAA P10253 1/20 0.61
MAPT P10636 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.59
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
ATM Q13315 1/20 0.57
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C19 P33261 1/20 0.55
MPO P05164 1/20 0.54
TRPV6 Q9H1D0 1/20 0.54

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
SCHEMBL9154589 0.92 LTA4H (0.79) LTA4HEPHX2KDM4EALDH1A1OPRM1
SCHEMBL8814963 0.91 LTA4H (0.78) LTA4HEPHX2KDM4EALDH1A1OPRM1
SCHEMBL8499156 0.90 LTA4H (0.82) LTA4HEPHX2KDM4EALDH1A1OPRM1
SCHEMBL9081140 0.90 LTA4H (0.82) LTA4HEPHX2KDM4EALDH1A1OPRM1
SCHEMBL10399489 0.90 KDM4E (0.84) LTA4HEPHX2KDM4EALDH1A1BCHE
SCHEMBL27688886 0.90 KDM4E (0.84) LTA4HEPHX2KDM4EALDH1A1BCHE
SCHEMBL6540074 0.89 LTA4H (0.76) LTA4HEPHX2KDM4EALDH1A1OPRM1
SCHEMBL5947593 0.88 LTA4H (0.79) LTA4HEPHX2KDM4EALDH1A1OPRM1
SCHEMBL8497924 0.85 LTA4H (0.79) LTA4HEPHX2KDM4EALDH1A1BCHE
SCHEMBL10098558 0.84 LTA4H (0.68) LTA4HEPHX2KDM4EALDH1A1OPRM1

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
EP-0784612-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-23 EP disclosed
WO-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 WO disclosed