SCHEMBL6804638

SCHEMBL6804638

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.41
RAB9A P51151 3/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 2/20 0.38
MAOB P27338 6/20 0.37
MAOA P21397 3/20 0.37
PARP10 Q53GL7 1/20 0.36
TEC P42680 1/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDE2A O00408 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
SCHEMBL6804907 0.90 MAOB (0.41) GRM5RAB9ANPC1ALDH1A1MAOB
SCHEMBL6803571 0.90 RAB9A (0.40) RAB9APOLBMAOBMAOAPARP10
SCHEMBL6810689 0.84 MAPT (0.39) GRM5RAB9ANPC1ALDH1A1POLB
SCHEMBL6804848 0.83 PDE2A (0.42) RAB9ANPC1ALDH1A1POLBMAOB
SCHEMBL6804479 0.78 MAOB (0.47) MAOBMAOA
SCHEMBL6804913 0.78 PARP10 (0.56) ALDH1A1MAOBMAOAPARP10MAPT
SCHEMBL6804893 0.77 SOD1 (0.42) RAB9ANPC1ALDH1A1MAOBMAOA
SCHEMBL6804575 0.77 FFAR1 (0.42) RAB9ANPC1ALDH1A1MAPTKDM4E
SCHEMBL6803414 0.76 RAB9A (0.43) RAB9ANPC1POLBMAOBMEN1
SCHEMBL6802634 0.73 RAB9A (0.48) RAB9ANPC1MAOBMAOAMEN1

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