SCHEMBL9250407

SCHEMBL9250407

CCCCCCc1c[c]c(O)cc1Br

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.44
TYR P14679 2/20 0.44
CYP3A4 P08684 2/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PTGS2 P35354 6/20 0.41
LIPG Q9Y5X9 1/20 0.38
GPR84 Q9NQS5 7/20 0.37

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
SCHEMBL8848639 0.83 ALOX5 (0.54) ALOX5TYRCYP3A4MEN1TP53
SCHEMBL11060195 0.79 ALOX5 (0.50) ALOX5TYRCYP3A4MEN1TP53
SCHEMBL27451394 0.79 ALOX5 (0.42) ALOX5TYRCYP3A4MEN1TP53
SCHEMBL27805061 0.78 ALOX5 (0.45) ALOX5TYRCYP3A4MEN1TP53
SCHEMBL2050571 0.76 ALOX5 (0.47) ALOX5TYRCYP3A4MEN1TP53
SCHEMBL351893 0.76 ALOX5 (0.47) ALOX5TYRCYP3A4MEN1TP53
SCHEMBL3842135 0.76 ALOX5 (0.47) ALOX5TYRCYP3A4MEN1TP53
SCHEMBL21508896 0.76 ALOX5 (0.47) ALOX5TYRCYP3A4MEN1TP53
SCHEMBL1685341 0.76 ALOX5 (0.47) ALOX5TYRCYP3A4MEN1TP53
SCHEMBL4225017 0.76 ALOX5 (0.47) ALOX5TYRCYP3A4MEN1TP53

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
EP-0664788-A1 SUBSTITUTED ETHANOLAMINE ESTERS Byk Nederland BV (NL) 1995-08-02 EP disclosed