SCHEMBL9533218

SCHEMBL9533218

O=[N+]([O-])c1cc(-c2c[c]ccc2)ccc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
MAPK1 P28482 2/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GPR35 Q9HC97 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
ALDH5A1 P51649 1/20 0.44
ABAT P80404 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
KDM4E B2RXH2 2/20 0.43

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
SCHEMBL3543624 0.82 ALDH1A1 (0.46) MAPTMAPK1ALDH1A1TSHRSMN1; SMN2
SCHEMBL29484215 0.82 MAPT (0.67) MAPTMAPK1ALDH1A1TP53HPGD
SCHEMBL4368126 0.82 MAPT (0.67) MAPTMAPK1ALDH1A1TP53HPGD
SCHEMBL29878741 0.80 CRHBP (0.68) MAPTMAPK1ALDH1A1TP53HPGD
SCHEMBL3559913 0.80 CRHBP (0.68) MAPTMAPK1ALDH1A1TP53HPGD
SCHEMBL28537073 0.79 CRHBP (0.66) MAPTMAPK1ALDH1A1TP53HPGD
SCHEMBL3535307 0.79 MAPT (0.44) MAPTALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL9306308 0.78 MAPT (0.62) MAPTMAPK1ALDH1A1TP53HPGD
SCHEMBL9318576 0.75 CRHBP (0.65) MAPTMAPK1ALDH1A1TP53HPGD
SCHEMBL3299033 0.74 TSHR (0.53) MAPTALDH1A1TSHRSMN1; SMN2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0241043-B1 NOVEL DIARYLALKANOIDS HAVING ACTIVITY AS LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1993-09-01 EP disclosed
US-5177259-A Diarylalkanoids having activity as lipoxygenase inhibitors WARNER-LAMBERT COMPANY (US) 1993-01-05 US disclosed
US-5142095-A Treating inflammation, allergies, asthma, cardiovascular disorders, psoriasis WARNER-LAMBERT COMPANY (US) 1992-08-25 US disclosed
US-5077411-A Antiallergens, antiinflammatory agents; cardiovascular disorders, migraines, psoriasis WARNER-LAMBERT CO. (US) 1991-12-31 US disclosed
US-4959503-A Diarylalkanoids having activity as lipoxygenase inhibitors WARNER-LAMBERT COMPANY (US) 1990-09-25 US disclosed
US-4810716-A ANTIINFLAMMATORY, ANTIALLERGY, ANTIISCHEMIC WARNER-LAMBERT COMPANY (US) 1989-03-07 US disclosed
EP-0241043-A2 Novel diarylalkanoids having activity as lipoxygenase inhibitors WARNER-LAMBERT COMPANY (US) 1987-10-14 EP disclosed