SCHEMBL7828259

SCHEMBL7828259

CCOC(=O)/C=C/c1cc(Cl)ccc1CBr

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
ALDH1A1 P00352 4/20 0.46
TTR P02766 1/20 0.45
DPP4 P27487 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP3A4 P08684 2/20 0.43
ESR1 P03372 1/20 0.42
MAOB P27338 1/20 0.41
FDPS P14324 1/20 0.40
P2RX3 P56373 1/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL7922171 1.00 MAPT (0.46) MAPTALDH1A1TTRDPP4CA12
SCHEMBL30087204 0.88 MAPT (0.47) MAPTALDH1A1TTRDPP4CA12
SCHEMBL29170149 0.88 MAPT (0.47) MAPTALDH1A1TTRDPP4CA12
SCHEMBL8937659 0.86 MAPT (0.53) MAPTALDH1A1TTRDPP4CA12
SCHEMBL8937654 0.86 MAPT (0.53) MAPTALDH1A1TTRDPP4CA12
SCHEMBL7931389 0.84 MAPT (0.46) MAPTALDH1A1TTRDPP4CA12
SCHEMBL7931384 0.84 MAPT (0.46) MAPTALDH1A1TTRDPP4CA12
SCHEMBL21356212 0.83 MAPT (0.48) MAPTALDH1A1TTRDPP4CA12
SCHEMBL21356214 0.83 MAPT (0.48) MAPTALDH1A1TTRDPP4CA12
SCHEMBL31462827 0.83 MAPT (0.50) MAPTALDH1A1TTRDPP4CA12

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6242493-B1 PROSTAGLANDIN INHIBITORS; ANALGESICS, ANTIPYRETICS, ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA & CO. (CA) 2001-06-05 US disclosed
EP-1071648-A2 CARBOXYLIC ACIDS AND ACYLSULFONAMIDES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT Merck Frosst Canada & Co. (CA) 2001-01-31 EP disclosed
WO-1999047497-A2 CARBOXYLIC ACIDS AND ACYLSULFONAMIDES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK FROSST CANADA & CO. (CA) 1999-09-23 WO disclosed