SCHEMBL7369050

SCHEMBL7369050

CC(C)(C)OC(=O)C1Nc2ccccc2C1CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.42
IDO1 P14902 1/20 0.41
RECQL P46063 1/20 0.39
HSPA1A P0DMV8 1/20 0.36
PTPN7 P35236 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
EPHX2 P34913 1/20 0.34
ATM Q13315 2/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
MCL1 Q07820 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CDC25A P30304 1/20 0.33
ABCB1 P08183 1/20 0.33
CACNA1G O43497 1/20 0.32
AKT1 P31749 1/20 0.32

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
SCHEMBL30166173 0.77 GAA (0.43) EGFRIDO1RECQLEPHX2ATM
SCHEMBL25180854 0.77 GAA (0.43) EGFRIDO1RECQLEPHX2ATM
SCHEMBL25180855 0.77 GAA (0.43) EGFRIDO1RECQLEPHX2ATM
SCHEMBL25180856 0.77 GAA (0.43) EGFRIDO1RECQLEPHX2ATM
SCHEMBL3759735 0.72 EGFR (0.48) EGFRIDO1HSPA1APTPN7TDP1
SCHEMBL14077949 0.69 MEN1 (0.43) IDO1CYP2C19MEN1KMT2A
SCHEMBL6409284 0.68 IDO1 (0.41) EGFRIDO1RECQLEPHX2ATM
SCHEMBL691998 0.68 MAPT (0.55) IDO1TDP1MEN1KMT2A
SCHEMBL13611951 0.68 TDP1 (0.37) EGFRIDO1HSPA1APTPN7TDP1
SCHEMBL4881527 0.67 PTPRA (0.36) IDO1RECQLEPHX2CYP2C19MEN1

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-0946542-A1 INDANE OR DIHYDROINDOLE DERIVATIVES H. LUNDBECK A/S (DK) 1999-10-06 EP disclosed
WO-1998028293-A1 INDANE OR DIHYDROINDOLE DERIVATIVES H.LUNDBECK A/S (DK) 1998-07-02 WO disclosed