SCHEMBL9518286

SCHEMBL9518286

COc1ccc(C(=O)O)c(O)c1Br

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.66
TDP1 Q9NUW8 2/20 0.66
LCK P06239 1/20 0.50
FYN P06241 1/20 0.50
KDM4E B2RXH2 4/20 0.47
HSD17B10 Q99714 3/20 0.47
MAPK1 P28482 2/20 0.47
ALOX15 P16050 1/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
CDC25B P30305 1/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA4 P22748 2/20 0.44
CA6 P23280 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CA3 P07451 1/20 0.44

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
SCHEMBL9787573 0.85 MAPT (0.66) MAPTTDP1LCKFYNKDM4E
SCHEMBL1832009 0.85 MAPT (0.49) MAPTTDP1KDM4EHSD17B10MAPK1
SCHEMBL6648374 0.85 MAPT (0.55) MAPTTDP1LCKFYNKDM4E
SCHEMBL10542808 0.84 MAPT (0.46) MAPTTDP1KDM4EHSD17B10MAPK1
SCHEMBL29378830 0.82 MAPT (0.72) MAPTTDP1LCKFYNKDM4E
SCHEMBL3189109 0.82 MAPT (0.72) MAPTTDP1LCKFYNKDM4E
SCHEMBL9353417 0.81 MAPT (0.61) MAPTTDP1LCKFYNKDM4E
SCHEMBL17339024 0.81 MAPT (0.51) MAPTTDP1LCKFYNKDM4E
SCHEMBL17142285 0.80 ALDH1A1 (0.54) MAPTTDP1LCKFYNKDM4E
SCHEMBL28283707 0.80 TDP1 (0.50) MAPTTDP1LCKFYNKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0269599-B1 Substituted 1H-imidazoles UCB SA (BE) 1993-12-15 EP disclosed
EP-0269599-A2 Substituted 1H-imidazoles U C B, S.A. (BE) 1988-06-01 EP disclosed