SCHEMBL8344964

SCHEMBL8344964

CC1=CCc2ccc(C)cc2C1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 3/20 0.53
ACHE P22303 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
PARP10 Q53GL7 2/20 0.43
PARP1 P09874 1/20 0.43
ELANE P08246 1/20 0.42
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PARP11 Q9NR21 1/20 0.36
HSD17B10 Q99714 1/20 0.35
ADORA1 P30542 1/20 0.34
TYMS P04818 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34

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
SCHEMBL9629516 0.84 METAP1 (0.41) METAP1ACHEMAOAMAOBPARP10
SCHEMBL30933590 0.84 METAP1 (0.41) METAP1ACHEMAOAMAOBPARP10
SCHEMBL396140 0.76 MAOA (0.50) ACHEMAOAMAOBALDH1A1SMN1; SMN2
SCHEMBL14925847 0.75 METAP1 (0.60) METAP1ACHEMAOAMAOBPARP10
SCHEMBL1609651 0.75 METAP1 (0.71) METAP1ACHEMAOAMAOBPARP10
SCHEMBL787473 0.74 MEN1 (0.37) METAP1MAOAMAOBELANEALDH1A1
SCHEMBL6056920 0.74 METAP1 (0.69) METAP1ACHEMAOAMAOBPARP10
SCHEMBL6056983 0.72 METAP1 (0.67) METAP1ACHEMAOAMAOBPARP10
SCHEMBL1512741 0.72 METAP1 (0.67) METAP1ACHEMAOAMAOBPARP10
SCHEMBL28115385 0.72 METAP1 (0.39) METAP1ACHEMAOAMAOBPARP10

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
WO-2004014384-A2 CYCLIC COMPOUNDS CONTAINING ZINC BINDING GROUPS AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO disclosed