SCHEMBL6804893

SCHEMBL6804893

CCc1cc(COc2ccc(C[C]=O)cc2)cc(CC)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOD1 P00441 1/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RAB9A P51151 3/20 0.39
MAPT P10636 4/20 0.39
MAOB P27338 2/20 0.38
MAOA P21397 1/20 0.38
PTPRC P08575 1/20 0.36
PTPRF P10586 1/20 0.36
PTPN1 P18031 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PARP10 Q53GL7 1/20 0.36
APP P05067 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL6803571 0.83 RAB9A (0.40) SOD1RAB9AMAOBMAOAPTPRC
SCHEMBL6803414 0.81 RAB9A (0.43) RAB9AMAOBTDP1APPSMN1; SMN2
SCHEMBL6804907 0.80 MAOB (0.41) RAB9AMAOBMAOAPTPRCPTPRF
SCHEMBL6804913 0.80 PARP10 (0.56) MAPTMAOBMAOAPTPRCPTPRF
SCHEMBL6804638 0.77 GRM5 (0.41) RAB9AMAPTMAOBMAOAPARP10
SCHEMBL6804479 0.76 MAOB (0.47) SOD1RXRARXRBMAOBMAOA
SCHEMBL6809550 0.76 MMP2 (0.46) RXRARXRBMAOBMAOAPARP10
SCHEMBL6804848 0.76 PDE2A (0.42) RAB9AMAOBTDP1APPALDH1A1
SCHEMBL6804575 0.75 FFAR1 (0.42) RAB9AMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL6810689 0.75 MAPT (0.39) RAB9AMAPTMAOBTDP1APP

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