SCHEMBL9632571

SCHEMBL9632571

COc1ccc(C=CCC=[N+](C)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.53
KDM4E B2RXH2 3/20 0.48
CYP3A4 P08684 2/20 0.48
LMNA P02545 2/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TRPA1 O75762 1/20 0.47
RELA Q04206 1/20 0.47
CYP1A2 P05177 3/20 0.46
CYP1A1 P04798 3/20 0.46
CYP1B1 Q16678 3/20 0.46
ESR1 P03372 2/20 0.46
NFE2L2 Q16236 2/20 0.46
PTGS2 P35354 2/20 0.46
ABL1 P00519 1/20 0.46
TTR P02766 1/20 0.46
ABCB1 P08183 1/20 0.46
ALOX5 P09917 1/20 0.46
BCR P11274 1/20 0.46

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
SCHEMBL9631475 0.78 HTR2A (0.44) FBP1ALDH1A1RELANPC1RAB9A
SCHEMBL9632506 0.77 MAPT (0.54) KDM4ECYP3A4LMNAALDH1A1RELA
SCHEMBL2096555 0.74 ALDH1A1 (0.57) FBP1KDM4ECYP3A4LMNATP53
SCHEMBL13710800 0.74 ALDH1A1 (0.57) FBP1KDM4ECYP3A4LMNATP53
SCHEMBL9632582 0.74 FBP1 (0.53) FBP1KDM4ECYP3A4LMNATP53
SCHEMBL13620526 0.74 FBP1 (0.53) FBP1KDM4ECYP3A4LMNATP53
SCHEMBL12047534 0.74 KDM4E (0.59) KDM4ECYP3A4LMNATP53TSHR
SCHEMBL8647769 0.74 KDM4E (0.59) KDM4ECYP3A4LMNATP53TSHR
SCHEMBL256708 0.74 KDM4E (0.59) KDM4ECYP3A4LMNATP53TSHR
SCHEMBL9954764 0.73 NFE2L2 (0.55) KDM4ECYP3A4LMNATP53TSHR

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-5106723-A Contrast enhancement layer compositions, alkylnitrones, and use MICROSI, INC. (US) 1992-04-21 US claimed
US-5002993-A Contrast enhancement layer compositions, alkylnitrones, and use MICROSI, INC. (US) 1991-03-26 US claimed
EP-0254221-B1 CONTRAST ENHANCEMENT LAYER COMPOSITIONS, ALKYLNITRONES, AND USE MicroSi, Inc. (a Delaware corporation) (US) 1992-05-13 EP disclosed
US-5106723-A Contrast enhancement layer compositions, alkylnitrones, and use MICROSI, INC. (US) 1992-04-21 US disclosed
US-5002993-A Contrast enhancement layer compositions, alkylnitrones, and use MICROSI, INC. (US) 1991-03-26 US disclosed
EP-0254221-A2 Contrast enhancement layer compositions, alkylnitrones, and use MicroSi, Inc. (a Delaware corporation) (US) 1988-01-27 EP disclosed