SCHEMBL6804913

SCHEMBL6804913

Cc1cc(C)cc(COc2ccc(C[C]=O)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.56
HDAC8 Q9BY41 2/20 0.45
MAOB P27338 6/20 0.44
TSPO P30536 1/20 0.43
MAOA P21397 3/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
FFAR1 O14842 2/20 0.40
FFAR4 Q5NUL3 1/20 0.40
CYP3A4 P08684 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTPRC P08575 1/20 0.39
PTPRF P10586 1/20 0.39
PTPN1 P18031 1/20 0.39

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
SCHEMBL6803823 0.86 PARP10 (0.44) PARP10MAOBMAOAALDH1A1MAPT
SCHEMBL6805449 0.85 PARP10 (0.67) PARP10HDAC8MAOBMAOAALDH1A1
SCHEMBL6803571 0.84 RAB9A (0.40) PARP10HDAC8MAOBMAOASMN1; SMN2
SCHEMBL6809550 0.80 MMP2 (0.46) PARP10MAOBMAOAFFAR1FFAR4
SCHEMBL6804479 0.80 MAOB (0.47) MAOBMAOA
SCHEMBL6804893 0.80 SOD1 (0.42) PARP10MAOBMAOAALDH1A1MAPT
SCHEMBL6809153 0.78 ADAMTS4 (0.42) PARP10MAOBMAOAALDH1A1MAPT
SCHEMBL6803414 0.78 RAB9A (0.43) MAOBFFAR1SMN1; SMN2
SCHEMBL6802634 0.78 RAB9A (0.48) MAOBMAOAFFAR1
SCHEMBL6804638 0.78 GRM5 (0.41) PARP10MAOBMAOAALDH1A1MAPT

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 1 patent. 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