SCHEMBL10693494

SCHEMBL10693494

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 4/20 0.46
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
KDM4E B2RXH2 3/20 0.41
HPGD P15428 2/20 0.41
CDC25B P30305 1/20 0.40
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.38
POLB P06746 1/20 0.38
MYC P01106 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA7 P43166 1/20 0.38

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
SCHEMBL10691520 0.86 ALDH1A1 (0.39) MAPTTDP1ALDH1A1KDM4EHPGD
SCHEMBL27883374 0.85 MAPT (0.57) MAPTTDP1ALDH1A1LCKFYN
SCHEMBL9353417 0.85 MAPT (0.61) MAPTTDP1ALDH1A1LCKFYN
SCHEMBL27840740 0.79 ALDH1A1 (0.62) MAPTTDP1ALDH1A1KDM4EHPGD
SCHEMBL6648374 0.78 MAPT (0.55) MAPTTDP1ALDH1A1LCKFYN
SCHEMBL28112142 0.78 HTT (0.51) MAPTTDP1ALDH1A1KDM4EHPGD
SCHEMBL27955903 0.77 ALDH1A1 (0.60) MAPTTDP1ALDH1A1KDM4EHPGD
SCHEMBL10163156 0.75 CA12 (0.43) MAPTTDP1ALDH1A1LCKFYN
SCHEMBL17339024 0.75 MAPT (0.51) MAPTTDP1ALDH1A1LCKFYN
SCHEMBL2337418 0.75 MAPT (0.66) MAPTTDP1ALDH1A1LCKFYN

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-4764525-A N-1H-tetrazol-5-ylbenzamides having use as antiallergy and antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1988-08-16 US disclosed