SCHEMBL9161972

SCHEMBL9161972

C=Cc1cccc(Oc2ccc(F)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.47
MAPT P10636 4/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALOX5 P09917 3/20 0.47
TP53 P04637 2/20 0.47
HPGD P15428 2/20 0.47
LMNA P02545 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
ALOX12 P18054 1/20 0.47
NFKB1 P19838 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47

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
SCHEMBL27656980 0.87 TDP1 (0.52) MAPTALDH1A1MEN1KMT2AALOX5
SCHEMBL31236273 0.87 TDP1 (0.52) MAPTALDH1A1MEN1KMT2AALOX5
SCHEMBL3276887 0.85 TLR4 (0.53) MAPTALDH1A1ALOX5TP53LMNA
SCHEMBL34465491 0.85 TLR4 (0.53) MAPTALDH1A1ALOX5TP53LMNA
SCHEMBL9338868 0.84 NFE2L2 (0.49) NFE2L2MAPTALDH1A1MEN1KMT2A
SCHEMBL11215624 0.82 MAPT (0.50) NFE2L2MAPTALDH1A1MEN1KMT2A
SCHEMBL30584498 0.82 MAOA (0.62) NFE2L2MAPTALDH1A1MEN1KMT2A
SCHEMBL184380 0.82 MAOA (0.62) NFE2L2MAPTALDH1A1MEN1KMT2A
SCHEMBL14612623 0.82 RELA (0.56) NFE2L2MAPTALDH1A1TP53CYP1A2
SCHEMBL14612631 0.82 TDP1 (0.55) MAPTALDH1A1MEN1KMT2AALOX5

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 disclosed
EP-0558563-A1 ANTI-INFLAMMATORY COMPOUNDS. WELLCOME FOUND (GB) 1993-09-08 EP disclosed
US-5187192-A Amide derivatives as antiinflammatory or antiallergy agents ABBOTT LABORATORIES (US) 1993-02-16 US disclosed
WO-1992009567-A1 ANTI-INFLAMMATORY COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1992-06-11 WO disclosed