SCHEMBL9163312

SCHEMBL9163312

NC(=O)N(O)[C@H]1C[C@@H](c2cccc(Oc3ccc(F)cc3)c2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 9/20 1.00
MMP13 P45452 1/20 0.47
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
ALOX12 P18054 1/20 0.46
NFKB1 P19838 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
HIF1A Q16665 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL9158475 1.00 ALOX5 (1.00) ALOX5MMP13MAPTMEN1ALDH1A1
SCHEMBL9158468 1.00 ALOX5 (1.00) ALOX5MMP13MAPTMEN1ALDH1A1
SCHEMBL7971116 0.90 ALOX5 (0.82) ALOX5PARP10PARP14KCNH2
SCHEMBL7971112 0.90 ALOX5 (0.82) ALOX5PARP10PARP14KCNH2
SCHEMBL9163994 0.90 ALOX5 (0.82) ALOX5PARP10PARP14KCNH2
SCHEMBL9163641 0.88 ALOX5 (0.79) ALOX5MMP13MAPTMEN1ALDH1A1
SCHEMBL8778208 0.88 ALOX5 (0.79) ALOX5PARP10PARP14KCNH2
SCHEMBL8778183 0.88 ALOX5 (0.79) ALOX5PARP10PARP14KCNH2
SCHEMBL9163645 0.88 ALOX5 (0.79) ALOX5MMP13MAPTMEN1ALDH1A1
SCHEMBL8778188 0.88 ALOX5 (0.79) ALOX5PARP10PARP14KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0558563-B1 ANTI-INFLAMMATORY COMPOUNDS WELLCOME FOUND (GB) 1995-03-29 EP claimed
WO-1992009567-A1 ANTI-INFLAMMATORY COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1992-06-11 WO claimed
EP-0558563-B1 ANTI-INFLAMMATORY COMPOUNDS WELLCOME FOUND (GB) 1995-03-29 EP disclosed
WO-1992009567-A1 ANTI-INFLAMMATORY COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1992-06-11 WO disclosed