SCHEMBL6804907

SCHEMBL6804907

O=[C]Cc1ccc(OCc2cc(Cl)nc(Cl)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.41
RAB9A P51151 2/20 0.40
TEC P42680 1/20 0.40
ADAM17 P78536 1/20 0.39
APP P05067 1/20 0.39
GRM5 P41594 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NR4A2 P43354 1/20 0.39
DHFR P00374 1/20 0.38
MAOA P21397 1/20 0.38
PRMT5 O14744 1/20 0.38
PTPRC P08575 1/20 0.37
PTPRF P10586 1/20 0.37
PTPN1 P18031 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) MAOBRAB9ATECGRM5NPC1
SCHEMBL6810689 0.88 MAPT (0.39) MAOBRAB9AAPPGRM5NPC1
SCHEMBL6804479 0.84 MAOB (0.47) MAOBAPPNR4A2MAOA
SCHEMBL6803571 0.81 RAB9A (0.40) MAOBRAB9AAPPMAOAPTPRC
SCHEMBL6804893 0.80 SOD1 (0.42) MAOBRAB9AAPPNPC1ALDH1A1
SCHEMBL6803414 0.79 RAB9A (0.43) MAOBRAB9AAPPNPC1
SCHEMBL6804913 0.78 PARP10 (0.56) MAOBALDH1A1MAOAPTPRCPTPRF
SCHEMBL6809550 0.78 MMP2 (0.46) MAOBADAM17APPMAOA
SCHEMBL6809046 0.76 F2 (0.48) MAOBAPPNPC1PTPRCPTPN1
SCHEMBL6805048 0.75 LMNA (0.58) MAOBRAB9AAPPNR4A2MAOA

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