SCHEMBL8685222

SCHEMBL8685222

COc1cc2cc([N+](=O)[O-])ccc2c2c1OC1(C=C2)C=Cc2c(c(OC)cc3cc([N+](=O)[O-])ccc23)O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.45
PDE4D Q08499 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 3/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA13 Q8N1Q1 1/20 0.37
PKM P14618 1/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.36
PTGS2 P35354 2/20 0.35
CYP19A1 P11511 1/20 0.35

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
SCHEMBL8681714 0.79 MEN1 (0.42) HTTPDE4DTDP1LMNASMN1; SMN2
SCHEMBL8680951 0.77 PDE4D (0.43) PDE4DLMNASMN1; SMN2ALDH1A1CA12
SCHEMBL8680232 0.75 ALDH1A1 (0.40) PDE4DTDP1LMNASMN1; SMN2ALDH1A1
SCHEMBL3884117 0.75 CA9 (0.37) HTTTDP1LMNASMN1; SMN2ALDH1A1
SCHEMBL8680670 0.72 MAPT (0.36) TDP1LMNAALDH1A1CA12CA1
SCHEMBL8682364 0.68 CA9 (0.38) HTTTDP1LMNASMN1; SMN2ALDH1A1
SCHEMBL8680695 0.68 MEN1 (0.37) TDP1LMNAALDH1A1CA12CA1
SCHEMBL6339929 0.68 S100A4 (0.55) HTTTDP1LMNASMN1; SMN2ALDH1A1
SCHEMBL8680039 0.67 LMNA (0.38) PDE4DTDP1LMNASMN1; SMN2ALDH1A1
SCHEMBL28232448 0.67 HTT (0.58) HTTTDP1LMNASMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5759729-A A DRY TONER COMPRISING A RESIN, PHOTOCHROMATIC SPIROPYRAN, -OXAZINE OR -THIOPYRAN DYE AND A CHARGE CONTROL AGENT;ELECTROGRAPHY; XEROGRAPHY XEROX CORPORATION (US) 1998-06-02 US claimed
US-5759729-A A DRY TONER COMPRISING A RESIN, PHOTOCHROMATIC SPIROPYRAN, -OXAZINE OR -THIOPYRAN DYE AND A CHARGE CONTROL AGENT;ELECTROGRAPHY; XEROGRAPHY XEROX CORPORATION (US) 1998-06-02 US disclosed
US-5710420-A Method for embedding and recovering machine-readable information XEROX CORPORATION (US) 1998-01-20 US disclosed
US-5633109-A Ink compositions with liposomes containing photochromic compounds XEROX CORPORATION (US) 1997-05-27 US disclosed
US-5593486-A Photochromic hot melt ink compositions XEROX CORPORATION (US) 1997-01-14 US disclosed
US-5551973-A LIQUID CRYSTAL GEL PHASE, MICROEMULSION PHASE XEROX CORPORATION (US) 1996-09-03 US disclosed