SCHEMBL7526646

SCHEMBL7526646

O=C(c1ccccc1CN1CCOCC1)c1ccccc1CN1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A13 Q16696 5/20 0.58
CYP2C9 P11712 2/20 0.54
ALOX15 P16050 1/20 0.54
HSD17B10 Q99714 1/20 0.54
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
ALDH1A1 P00352 5/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TSHR P16473 2/20 0.48

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
SCHEMBL11152322 0.91 GAA (0.58) CYP2A13CYP2C9ALOX15HSD17B10CYP3A4
SCHEMBL230275 0.89 CYP2A13 (0.57) CYP2A13CYP2C9ALOX15HSD17B10CYP3A4
SCHEMBL30640558 0.89 CYP2A13 (0.57) CYP2A13CYP2C9ALOX15HSD17B10CYP3A4
SCHEMBL4848385 0.87 CYP2A13 (0.59) CYP2A13CYP2C9ALOX15HSD17B10CYP3A4
SCHEMBL2228234 0.87 KDM4E (0.58) CYP2A13CYP2C9ALOX15HSD17B10CYP3A4
SCHEMBL10533979 0.87 CYP2A13 (0.59) CYP2A13CYP2C9ALOX15HSD17B10CYP3A4
SCHEMBL13361112 0.84 CYP2A13 (0.53) CYP2A13CYP2C9ALOX15HSD17B10CYP3A4
SCHEMBL5216465 0.83 HCRTR1 (0.60) CYP2A13CYP2C9ALOX15HSD17B10ALDH1A1
SCHEMBL11019683 0.83 CYP2A13 (0.51) CYP2A13CYP2C9ALOX15HSD17B10CYP3A4
SCHEMBL11193326 0.82 CYP2A13 (0.75) CYP2A13CYP2C9ALOX15HSD17B10CYP3A4

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
EP-1177478-A1 PHOTOSENSITIVE COMPOSITION Ciba SC Holding AG (CH) 2002-02-06 EP disclosed
WO-2000068739-A1 PHOTOSENSITIVE COMPOSITION VANTICO AG (CH) 2000-11-16 WO disclosed
US-6045972-A APPLYING A PHOTOCHEMICALLY OR THERMALLY CURABLE EPOXY ACRYLATE RESIN TO FORM A NON-TACKY AND GOOD EDGE COVERINGS; WATERPROOFING CIBA SPECIALTY CHEMICALS CORP. (US) 2000-04-04 US disclosed
US-5942371-A Aqueous acrylic photopolymerisable compositions CIBA SPECIALTY CHEMICALS CORP. (US) 1999-08-24 US disclosed