SCHEMBL6804848

SCHEMBL6804848

COc1cc(COc2ccc(C[C]=O)cc2)cc(C)n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.42
ALDH1A1 P00352 2/20 0.38
APP P05067 3/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
MAOB P27338 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PABPC1 P11940 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36

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
SCHEMBL6803414 0.92 RAB9A (0.43) PDE2AAPPNPC1RAB9APOLB
SCHEMBL6803571 0.89 RAB9A (0.40) PDE2AAPPRAB9APOLBSMN1; SMN2
SCHEMBL6810689 0.86 MAPT (0.39) PDE2AALDH1A1APPNPC1RAB9A
SCHEMBL6804638 0.83 GRM5 (0.41) PDE2AALDH1A1NPC1RAB9APOLB
SCHEMBL6804913 0.77 PARP10 (0.56) ALDH1A1SMN1; SMN2MAOB
SCHEMBL6804893 0.76 SOD1 (0.42) ALDH1A1APPNPC1RAB9ASMN1; SMN2
SCHEMBL6804575 0.76 FFAR1 (0.42) PDE2AALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6804907 0.75 MAOB (0.41) ALDH1A1APPNPC1RAB9AMAOB
SCHEMBL6802634 0.72 RAB9A (0.48) NPC1RAB9ATDP1MAOBMEN1
SCHEMBL3970211 0.72 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