SCHEMBL6802634

SCHEMBL6802634

Cc1cc(COc2ccc(C[C]=O)cc2)cc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.48
F2 P00734 2/20 0.44
MAOB P27338 2/20 0.40
MAOA P21397 2/20 0.40
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.39
ALOX5 P09917 2/20 0.39
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CNR1 P21554 1/20 0.37

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
SCHEMBL6804632 0.80 RAB9A (0.41) RAB9AL3MBTL1NPC1CYP1A2CYP2A6
SCHEMBL6803571 0.79 RAB9A (0.40) RAB9AMAOBMAOATDP1MEN1
SCHEMBL6804913 0.78 PARP10 (0.56) MAOBMAOAFFAR1
SCHEMBL6805048 0.76 LMNA (0.58) RAB9AMAOBMAOAL3MBTL1CYP1A2
SCHEMBL3970211 0.75 ADAM17 (0.57)
SCHEMBL6804893 0.74 SOD1 (0.42) RAB9AMAOBMAOAL3MBTL1NPC1
SCHEMBL6799652 0.74 APP (0.58) RAB9AMAOBMAOANPC1CYP1A2
SCHEMBL6805550 0.74 SLC22A12 (0.43) MAOBMAOAFFAR1
SCHEMBL6803414 0.73 RAB9A (0.43) RAB9AMAOBPKMNPC1TDP1
SCHEMBL6804638 0.73 GRM5 (0.41) RAB9AMAOBMAOANPC1MEN1

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-6770647-B2 Bicyclic hydroxamates as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-08-03 US disclosed
WO-2003016248-A2 BICYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-$G(A) CONVERTING ENZYME (TACE) BRISTOL-MYERS SQUIBB COMPANY PATENT DEPARTMENT (US) 2003-02-27 WO disclosed