SCHEMBL6554667

SCHEMBL6554667

CC(C)(C)CC(C)(C)c1ccc(O)c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 1/20 0.51
HIF1A Q16665 1/20 0.51
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
MAPK1 P28482 3/20 0.49
GPR35 Q9HC97 2/20 0.49
TP53 P04637 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
TSHR P16473 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SHBG P04278 1/20 0.47
ALDH5A1 P51649 1/20 0.45
ABAT P80404 1/20 0.45

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
SCHEMBL24711215 0.86 MAPK1 (0.50) CA12CA1CA2CA9MAPK1
SCHEMBL11811539 0.84 MAPK1 (0.49) CA12CA1CA2CA9MAPK1
SCHEMBL69884 0.82 GPR35 (0.65) CYP3A4HIF1ACA12CA1CA2
SCHEMBL29666479 0.82 GPR35 (0.65) CYP3A4HIF1ACA12CA1CA2
SCHEMBL445240 0.82 ALDH1A1 (0.56) CYP2D6CA12CA1CA2CA9
SCHEMBL10385267 0.81 TSHR (0.51) CYP3A4CYP2D6HIF1AGPR35ALDH1A1
SCHEMBL4474221 0.80 GPR35 (0.62) CYP3A4CA12CA1CA2CA9
SCHEMBL17028799 0.80 GPR35 (0.62) CYP3A4CA12CA1CA2CA9
SCHEMBL8375677 0.80 ESR1 (0.58) CA12CA1CA2CA9MAPK1
SCHEMBL6554673 0.80 CNR1 (0.50) MAPK1GPR35TP53SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4055567-A Preparation of o,o'-dihydroxyazobenzenes from o-nitrophenols PHILLIPS PETROLEUM COMPANY (US) 1977-10-25 US claimed
EP-1016653-B1 Preparation of high-dye yield couplers and intermediates useful therein EASTMAN KODAK CO (US) 2004-02-25 EP disclosed
US-6172260-B1 Preparation of high dye-yield couplers and intermediates useful therein EASTMAN KODAK COMPANY 2001-01-09 US disclosed
US-6132944-A A FORMED CARBAMYLOXY GROUP OR A SULFONYLISOCYANATO GROUP LINKED A COUPLER AND A DYE; EXHIBIT A HIGHER REACTIVITY WITH OXIDIZED DEVELOPER EASTMAN KODAK COMPANY (US) 2000-10-17 US disclosed
EP-1016916-A1 Photographic element containing high dye-yield couplers EASTMAN KODAK COMPANY (US) 2000-07-05 EP disclosed
EP-1016653-A1 Preparation of high-dye yield couplers and intermediates useful therein EASTMAN KODAK COMPANY (US) 2000-07-05 EP disclosed
CN-1258861-A Photographic element containing high dye productivity colour former EASTMAN KODAK CO (US) 2000-07-05 CN disclosed
US-4055567-A Preparation of o,o'-dihydroxyazobenzenes from o-nitrophenols PHILLIPS PETROLEUM COMPANY (US) 1977-10-25 US disclosed