SCHEMBL10691459

SCHEMBL10691459

COc1cc(OC(C)C)c(C(=O)O)cc1Br

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.54
FYN P06241 1/20 0.54
KDM4E B2RXH2 3/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 5/20 0.45
HPGD P15428 3/20 0.44
HSD17B10 Q99714 2/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ABCB1 P08183 1/20 0.40
XDH P47989 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
IRAK4 Q9NWZ3 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
SCHEMBL18312021 0.86 LCK (0.56) LCKFYNKDM4ENPSR1ALDH1A1
SCHEMBL1918763 0.86 LCK (0.66) LCKFYNKDM4ENPSR1ALDH1A1
SCHEMBL23173661 0.84 HPGDS (0.42) LCKFYNALDH1A1ABCB1
SCHEMBL29152481 0.84 ALDH1A1 (0.53) LCKFYNKDM4ENPSR1ALDH1A1
SCHEMBL14811899 0.84 LCK (0.49) LCKFYNKDM4ENPSR1ALDH1A1
Hydrochloric Acid SCHEMBL4409779 0.84 LCK (0.63) LCKFYNKDM4ENPSR1ALDH1A1
SCHEMBL18309180 0.84 ALDH1A1 (0.55) LCKFYNKDM4ENPSR1ALDH1A1
SCHEMBL7015758 0.83 KDM4E (0.50) LCKFYNKDM4ENPSR1ALDH1A1
SCHEMBL25339845 0.82 LCK (0.71) LCKFYNKDM4ENPSR1ALDH1A1
SCHEMBL30448157 0.82 LCK (0.71) LCKFYNKDM4ENPSR1ALDH1A1

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