SCHEMBL8809386

SCHEMBL8809386

COc1ccccc1C(=O)c1cccc(C)c1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.69
NPC1 O15118 4/20 0.69
POLB P06746 2/20 0.64
KCNK3 O14649 3/20 0.63
KCNK9 Q9NPC2 3/20 0.63
GAA P10253 2/20 0.59
TP53 P04637 1/20 0.59
CTNNB1 P35222 1/20 0.52
WNT3A P56704 1/20 0.52
IDO1 P14902 1/20 0.51
TDO2 P48775 1/20 0.51
KCNMA1 Q12791 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
STS P08842 1/20 0.50

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
SCHEMBL15608471 0.86 NPC1 (0.57) RAB9ANPC1POLBKCNK3KCNK9
SCHEMBL3143842 0.85 POLB (0.57) RAB9ANPC1POLBKCNK3KCNK9
SCHEMBL29291422 0.85 TP53 (0.64) RAB9ANPC1KCNK3KCNK9GAA
SCHEMBL8810715 0.84 MRGPRX4 (0.55) RAB9ANPC1POLBKCNK3KCNK9
SCHEMBL21483429 0.84 POLB (0.56) RAB9ANPC1POLBKCNK3KCNK9
SCHEMBL24239493 0.83 KDM4E (0.58) RAB9ANPC1POLBKCNK3KCNK9
SCHEMBL11578528 0.83 NPC1 (0.68) RAB9ANPC1POLBKCNK3KCNK9
SCHEMBL3484026 0.83 RAB9A (0.66) RAB9ANPC1GAATP53KDM4E
SCHEMBL50229 0.83 MAPT (0.64) RAB9ANPC1KCNK3KCNK9GAA
SCHEMBL29573531 0.83 MAPT (0.64) RAB9ANPC1KCNK3KCNK9GAA

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-5663179-A CAN SENSITIZE MULTIDRUG RESISTANT CANCER CELLS TO CHEMOTHERAPEUTIC AGENTS LABORATOIRES GLAXO SA (FR) 1997-09-02 US disclosed
EP-0649410-B1 ANILIDE DERIVATIVES GLAXO LAB SA (FR) 1997-05-02 EP disclosed