SCHEMBL8530651

SCHEMBL8530651

COc1ccc(-c2cn(C(CC(=O)OCc3ccccc3)C(=O)OCc3ccccc3)cn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.45
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 1/20 0.42
TACR3 P29371 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
DGAT1 O75907 1/20 0.40
NPC1 O15118 2/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RAB9A P51151 1/20 0.39
TP53 P04637 1/20 0.39
PARP1 P09874 1/20 0.39
TBXAS1 P24557 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FFAR1 O14842 1/20 0.39

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
SCHEMBL8533053 0.95 DHODH (0.46) DHODHALDH1A1HSD17B10MAPTTACR3
SCHEMBL8531978 0.91 MCL1 (0.45) ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL8532864 0.91 CYP1A2 (0.40) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL8533380 0.90 CYP2C9 (0.42) ALDH1A1MAPTNPC1L3MBTL1RAB9A
SCHEMBL8531280 0.85 MCL1 (0.46) ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL8528989 0.85 CYP1A2 (0.41) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL8532755 0.85 CYP1A2 (0.43) ALDH1A1HSD17B10MAPTNPC1L3MBTL1
SCHEMBL8797564 0.83 MCL1 (0.46) MAPTKMT2ASMN1; SMN2FFAR1
SCHEMBL8796844 0.83 POLB (0.43) MAPTNPC1RAB9ASMN1; SMN2FFAR1
SCHEMBL8530656 0.79 MAPT (0.42) ALDH1A1MAPTTACR3KMT2AFFAR1

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
CN-1066150-C Bridged indoles as matrix metalloprotease inhibitors SYNTEX INC (US) 2001-05-23 CN disclosed
US-5773428-A BONE DISORDERS SYNTEX (U.S.A.) INC. (US) 1998-06-30 US disclosed
CN-1180358-A Bridged indoles as matrix metalloprotease inhibitors SYNTEX INC (US) 1998-04-29 CN disclosed
WO-1996023791-A1 BRIDGED INDOLES AS MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-08-08 WO disclosed