SCHEMBL7622684

SCHEMBL7622684

CCOP(=O)(OCC)OCC=Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
BCHE P06276 1/20 0.58
ACHE P22303 1/20 0.58
PTGS2 P35354 7/20 0.55
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
APP P05067 1/20 0.46
MAOB P27338 1/20 0.45
FBP1 P09467 1/20 0.45
PTGS1 P23219 2/20 0.44
CYP19A1 P11511 2/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
AKR1C3 P42330 1/20 0.40

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
SCHEMBL7622680 1.00 CA1 (0.58) CA1CA2BCHEACHEPTGS2
SCHEMBL13957543 0.82 PTGS2 (0.60) PTGS2KDM4EALDH1A1APPMAOB
SCHEMBL1876079 0.80 NR1I2 (0.49) ACHETSHR
SCHEMBL1876077 0.80 NR1I2 (0.49) ACHETSHR
SCHEMBL4998682 0.79 PTGS2 (0.57) CA1CA2BCHEACHEPTGS2
SCHEMBL4998683 0.79 PTGS2 (0.57) CA1CA2BCHEACHEPTGS2
SCHEMBL23699095 0.79 PTGS2 (0.55) PTGS2APPMAOBFBP1PTGS1
SCHEMBL23699094 0.79 PTGS2 (0.55) PTGS2APPMAOBFBP1PTGS1
SCHEMBL8408256 0.78 APP (0.58) BCHEPTGS2APPMAOBFBP1
SCHEMBL6791134 0.76 PTGS2 (0.60) PTGS2ALDH1A1APPMAOBFBP1

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
US-20020127487-A1 Bisazo compound and electrophotographic photoconductor using the same RICOH COMPANY, LTD. (JP) 2002-09-12 US disclosed
US-6448384-B1 ELECTROSTATIC PROPERTIES, WITH RESPECT TO THE PHOTOSENSITIVITY, ACCEPTANCE POTENTIAL, RETENTIVITY OF CHARGE, POTENTIAL STABILITY, RESIDUAL POTENTIAL, AND SPECTRAL SENSITIVITY RICOH COMPANY, LTD. (JP) 2002-09-10 US disclosed
US-6333439-B1 1,4-BIS(4-(4-NITROPHENYL)-1,3-BUTADIENYL)BENZENE INTERMEDIATE RICOH COMPANY, LTD. (JP) 2001-12-25 US disclosed
US-6132914-A Bisazo compound and electrophotographic photoconductor using the same RICOH COMPANY, LTD. (JP) 2000-10-17 US disclosed