SCHEMBL9516705

SCHEMBL9516705

C[C@@H](C=Cc1cccc(Oc2ccc(F)cc2)c1)NO

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.62
MAPT P10636 3/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
CYP3A4 P08684 2/20 0.62
CYP2D6 P10635 2/20 0.62
CYP2C9 P11712 2/20 0.62
CYP2C19 P33261 2/20 0.62
ALDH1A1 P00352 1/20 0.62
TP53 P04637 1/20 0.62
CYP1A2 P05177 1/20 0.62
HPGD P15428 1/20 0.62
ALOX15 P16050 1/20 0.62
TSHR P16473 1/20 0.62
ALOX12 P18054 1/20 0.62
NFKB1 P19838 1/20 0.62
MAPK1 P28482 1/20 0.62
HIF1A Q16665 1/20 0.62
LMNA P02545 1/20 0.62
BLM P54132 1/20 0.62

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
SCHEMBL9516689 1.00 ALOX5 (0.62) ALOX5MAPTMEN1KMT2ACYP3A4
SCHEMBL9781084 1.00 ALOX5 (0.62) ALOX5MAPTMEN1KMT2ACYP3A4
SCHEMBL9516692 1.00 ALOX5 (0.62) ALOX5MAPTMEN1KMT2ACYP3A4
SCHEMBL9517929 0.86 ALOX5 (0.47) ALOX5MAPTMEN1KMT2ACYP3A4
SCHEMBL9514443 0.86 ALOX5 (0.47) ALOX5MAPTMEN1KMT2ACYP3A4
SCHEMBL9517925 0.86 ALOX5 (0.47) ALOX5MAPTMEN1KMT2ACYP3A4
SCHEMBL9514434 0.86 ALOX5 (0.47) ALOX5MAPTMEN1KMT2ACYP3A4
SCHEMBL9171356 0.83 MAPT (0.47) ALOX5MAPTMEN1KMT2ACYP3A4
SCHEMBL8965561 0.79 BCL2L1 (0.48) ALOX5MAPTMEN1KMT2ACYP3A4
SCHEMBL8965558 0.79 BCL2L1 (0.48) ALOX5MAPTMEN1KMT2ACYP3A4

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-0384594-B1 Anti-inflammatory aryl derivatives WELLCOME FOUND (GB) 1993-10-27 EP disclosed