SCHEMBL6803571

SCHEMBL6803571

Cc1cc(COc2ccc(C[C]=O)cc2)cc(C)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.40
PARP10 Q53GL7 2/20 0.40
MAOB P27338 3/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PDE2A O00408 1/20 0.39
MAOA P21397 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
PTPRC P08575 1/20 0.37
PTPRF P10586 1/20 0.37
PTPN1 P18031 1/20 0.37
GBA1 P04062 1/20 0.37
SOD1 P00441 1/20 0.37
APP P05067 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
SCHEMBL6804638 0.90 GRM5 (0.41) RAB9APARP10MAOBMEN1LMNA
SCHEMBL6804848 0.89 PDE2A (0.42) RAB9AMAOBMEN1POLBKMT2A
SCHEMBL6804913 0.84 PARP10 (0.56) PARP10MAOBMAOAHDAC8PTPRC
SCHEMBL6804893 0.83 SOD1 (0.42) RAB9APARP10MAOBLMNAKMT2A
SCHEMBL6804575 0.82 FFAR1 (0.42) RAB9APDE2ASMN1; SMN2
SCHEMBL6803414 0.82 RAB9A (0.43) RAB9AMAOBMEN1POLBKMT2A
SCHEMBL6804907 0.81 MAOB (0.41) RAB9AMAOBMAOAPTPRCPTPRF
SCHEMBL10144384 0.80 RAB9A (0.50) RAB9APARP10MEN1LMNAPOLB
SCHEMBL6802634 0.79 RAB9A (0.48) RAB9AMAOBMEN1KMT2AMAOA
SCHEMBL3970211 0.78 ADAM17 (0.57)

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