SCHEMBL4623866

SCHEMBL4623866

COc1ccc(C[CH]Cc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.67
ALDH1A1 P00352 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
TP53 P04637 1/20 0.59
CYP3A4 P08684 1/20 0.59
ALOX15 P16050 1/20 0.59
TSHR P16473 1/20 0.59
ALOX12 P18054 1/20 0.59
SIGMAR1 Q99720 2/20 0.55
CA4 P22748 1/20 0.52
HTT P42858 2/20 0.51
TRPA1 O75762 1/20 0.50
IDO1 P14902 1/20 0.48
NPC1 O15118 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
G6PC1 P35575 1/20 0.47
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ABCB1 P08183 1/20 0.46

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
SCHEMBL244069 0.91 ALDH1A1 (0.68) LTA4HALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL9151562 0.81 ALDH1A1 (0.61) LTA4HALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL2355634 0.80 LTA4H (0.75) LTA4HSIGMAR1CA4HTTNPC1
SCHEMBL570480 0.80 LTA4H (1.00) LTA4HSIGMAR1CA4HTTIDO1
SCHEMBL2123173 0.80 LTA4H (0.57) LTA4HALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL5580077 0.80 LTA4H (0.57) LTA4HALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL1254211 0.79 ALDH1A1 (0.59) LTA4HALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL1127531 0.79 LTA4H (0.67) LTA4HALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL10466462 0.79 ALDH1A1 (0.59) LTA4HALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL74275 0.79 MAOB (0.67) ALDH1A1SMN1; SMN2TP53ALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1303483-B1 NOVEL THIOUREA DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORP (KR) 2008-04-23 EP disclosed
EP-1303483-A4 NOVEL THIOUREA DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORP (KR) 2004-11-03 EP disclosed
EP-1303483-A1 NOVEL THIOUREA DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORPORATION (KR) 2003-04-23 EP disclosed
WO-2002016318-A1 NOVEL THIOUREA DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORPORATION (KR) 2002-02-28 WO disclosed