SCHEMBL9497288

SCHEMBL9497288

COc1cc([N+](=O)[O-])c(OC)cc1/C=C/c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.61
CYP1A1 P04798 3/20 0.52
CYP1B1 Q16678 3/20 0.52
CYP1A2 P05177 2/20 0.52
NFE2L2 Q16236 4/20 0.51
TRPA1 O75762 1/20 0.51
MAPT P10636 2/20 0.51
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
CYP3A4 P08684 1/20 0.51
ALOX15 P16050 1/20 0.51
PRKDC P78527 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TLR9 Q9NR96 1/20 0.51
TUBB4A P04350 2/20 0.50
TUBB P07437 2/20 0.50
TUBA3C P0DPH7 2/20 0.50
TUBA1B P68363 2/20 0.50
TUBA4A P68366 2/20 0.50
TUBB4B P68371 2/20 0.50

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
SCHEMBL9497290 1.00 CYP19A1 (0.61) CYP19A1CYP1A1CYP1B1CYP1A2NFE2L2
SCHEMBL19583347 0.83 NFE2L2 (0.71) CYP19A1CYP1A1CYP1B1CYP1A2NFE2L2
SCHEMBL19583346 0.83 NFE2L2 (0.71) CYP19A1CYP1A1CYP1B1CYP1A2NFE2L2
SCHEMBL27611459 0.82 CYP19A1 (0.68) CYP19A1CYP1A1CYP1B1CYP1A2NFE2L2
SCHEMBL6983829 0.80 TLR9 (0.69) CYP19A1CYP1A1CYP1B1CYP1A2NFE2L2
SCHEMBL27811651 0.80 CYP1A1 (0.60) CYP19A1CYP1A1CYP1B1CYP1A2NFE2L2
SCHEMBL11670410 0.79 MAPT (0.62) CYP19A1MAPTALDH1A1KDM4ECYP3A4
SCHEMBL3054759 0.79 TLR9 (0.76) CYP19A1CYP1A1CYP1B1CYP1A2NFE2L2
SCHEMBL3054757 0.79 TLR9 (0.76) CYP19A1CYP1A1CYP1B1CYP1A2NFE2L2
SCHEMBL918824 0.79 CYP1A1 (0.61) CYP19A1CYP1A1CYP1B1CYP1A2NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5250395-A Coating substrate with film of blocked polymer and aromatic dye, exposing to electromagnetic radiation, contacting with organometallic compound to form etch barrier, etching with reactive ions INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1993-10-05 US disclosed