SCHEMBL6272437

SCHEMBL6272437

CC(=O)c1c(Br)cccc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRNP P04156 1/20 0.47
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA4 P22748 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
ALDH1A1 P00352 5/20 0.44
ALOX15 P16050 1/20 0.44
THRB P10828 1/20 0.43
FABP4 P15090 1/20 0.42
HPGD P15428 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HSD17B10 Q99714 3/20 0.42
MAPK1 P28482 1/20 0.41
TSHR P16473 2/20 0.40
KMT2A Q03164 1/20 0.40
ESR1 P03372 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40

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
SCHEMBL241422 0.85 PRNP (0.56) PRNPCA12CA1CA2CA4
SCHEMBL29540504 0.85 PRNP (0.56) PRNPCA12CA1CA2CA4
SCHEMBL15049648 0.85 ALDH1A1 (0.55) CA12CA1CA2CA4CA7
SCHEMBL31582514 0.85 PRNP (0.45) PRNPCA12CA1CA2CA4
SCHEMBL11846322 0.83 THRB (0.54) CA12CA1CA2CA7CA9
SCHEMBL2953498 0.81 ALDH1A1 (0.50) CA12CA1CA2CA4CA7
SCHEMBL29404196 0.79 PRNP (0.44) PRNPCA12CA1CA2CA4
SCHEMBL29401587 0.79 PRNP (0.44) PRNPCA12CA1CA2CA4
SCHEMBL2549837 0.78 AKR1C3 (0.59) PRNPALDH1A1ALOX15FABP4KDM4E
SCHEMBL7280223 0.78 ALDH1A1 (0.59) CA12CA1CA2CA4CA7

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
EP-1224467-B1 PROTECTING ALKYLATING REAGENTS USED FOR QUANTIFYING HOMOCYSTEINE DADE BEHRING MARBURG GMBH (DE) 2005-11-30 EP disclosed
CN-1080720-C Thiazole derivatives HOFFMANN LA ROCHE (CH) 2002-03-13 CN disclosed
CN-1224718-A Thiazole derivatives HOFFMANN LA ROCHE (CH) 1999-08-04 CN disclosed