SCHEMBL7869484

SCHEMBL7869484

CC(=O)OOc1ccc(C(C)=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.61
HPGD P15428 2/20 0.61
RAB9A P51151 1/20 0.61
L3MBTL1 Q9Y468 2/20 0.53
GAA P10253 1/20 0.52
STS P08842 1/20 0.50
LMNA P02545 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
POLB P06746 1/20 0.48
MAOB P27338 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 1/20 0.44
HSD17B1 P14061 1/20 0.43
MAOA P21397 1/20 0.43
ELANE P08246 1/20 0.42

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
SCHEMBL26126123 0.80 ELANE (0.70) MAPTL3MBTL1GAASTSSMN1; SMN2
SCHEMBL6200881 0.80 MEN1 (0.44) MAPTGAALMNAKMT2AALDH1A1
SCHEMBL10438873 0.80 LMNA (0.61) MAPTHPGDL3MBTL1LMNAMAOB
SCHEMBL8586307 0.80 CES2 (0.52) MAPTRAB9ALMNANPSR1SMN1; SMN2
SCHEMBL10460891 0.78 MAPT (0.61) MAPTHPGDRAB9AL3MBTL1GAA
SCHEMBL9510016 0.78 TDP1 (0.44) MAPTHPGDRAB9AGAALMNA
SCHEMBL3725791 0.78 MAOB (0.43) GAALMNAMAOBSMN1; SMN2ALDH1A1
SCHEMBL21612930 0.78 MEN1 (0.47) MAPTRAB9ALMNANPSR1MAOB
SCHEMBL156135 0.78 HPGD (0.47) MAPTHPGDLMNAMAOBSMN1; SMN2
SCHEMBL3364623 0.78 LMNA (0.59) MAPTHPGDL3MBTL1LMNAMAOB

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-6316493-B1 FOR THERAPY OF MALARIA COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2001-11-13 US disclosed