SCHEMBL6554673

SCHEMBL6554673

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

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 16/20 0.50
CNR2 P34972 16/20 0.50
ESR1 P03372 2/20 0.46
ESR2 Q92731 2/20 0.46
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GPR35 Q9HC97 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 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
SCHEMBL8736532 0.99 CNR2 (0.52) CNR1CNR2ESR1ESR2
SCHEMBL11408465 0.88 ESR1 (0.44) CNR1CNR2ESR1ESR2ALDH1A1
SCHEMBL24711215 0.84 MAPK1 (0.50) ESR1ESR2ALDH1A1TP53HPGD
SCHEMBL10385268 0.83 CNR2 (0.49) CNR1CNR2ALDH1A1TSHRMAPT
SCHEMBL20354258 0.81 CNR2 (0.53) CNR1CNR2
SCHEMBL9007277 0.81 CNR1 (0.45) CNR1CNR2
SCHEMBL6865303 0.81 MAPK1 (0.48) CNR1CNR2ALDH1A1TSHRMAPK1
SCHEMBL10410062 0.81 CNR1 (0.54) CNR1CNR2ALDH1A1TP53HPGD
SCHEMBL6554667 0.80 CYP3A4 (0.51) ESR1ALDH1A1TP53HPGDTSHR
SCHEMBL11811539 0.80 MAPK1 (0.49) ALDH1A1TP53HPGDTSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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