SCHEMBL27699504

SCHEMBL27699504

O=C1CCC([N+](=O)[O-])C1=Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.42
MAPT P10636 4/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
HPGD P15428 2/20 0.38
F3 P13726 1/20 0.38
NFKB1 P19838 2/20 0.37
NFKB2 Q00653 2/20 0.37
RELA Q04206 2/20 0.37
FBP1 P09467 4/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
DUSP1 P28562 1/20 0.35
DUSP6 Q16828 1/20 0.35
TP53 P04637 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
SCHEMBL28780191 0.91 ALDH1A1 (0.45) CYP1A2MAPTCYP2D6CYP2C19SMN1; SMN2
SCHEMBL14223874 0.73 CYP1A2 (0.50) CYP1A2MAPTCYP2D6CYP2C19SMN1; SMN2
SCHEMBL28845442 0.73 CYP1A2 (0.46) CYP1A2MAPTCYP2D6CYP2C19SMN1; SMN2
SCHEMBL9047443 0.73 CYP1A2 (0.50) CYP1A2MAPTCYP2D6CYP2C19SMN1; SMN2
SCHEMBL9047452 0.73 CYP1A2 (0.50) CYP1A2MAPTCYP2D6CYP2C19SMN1; SMN2
SCHEMBL854609 0.73 GAA (0.40) CYP1A2MAPTCYP2D6CYP2C19SMN1; SMN2
SCHEMBL6163432 0.69 CYP1A2 (0.49) CYP1A2MAPTCYP2D6CYP2C19SMN1; SMN2
SCHEMBL3438388 0.68 ALDH1A1 (0.50) CYP1A2MAPTCYP2D6CYP2C19SMN1; SMN2
SCHEMBL28123686 0.68 ALDH1A1 (0.50) CYP1A2MAPTCYP2D6CYP2C19SMN1; SMN2
SCHEMBL3438389 0.68 ALDH1A1 (0.50) CYP1A2MAPTCYP2D6CYP2C19SMN1; SMN2

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
CN-100497293-C Method of preparing alpha,alpha'-di(substituted benzylidene)cyclone ultraviolet radiation absorbent UNIV ZHEJIANG (CN) 2009-06-10 CN claimed
CN-101054348-A Method of preparing alpha,alpha'-di(substituted benzylidene)cyclone ultraviolet radiation absorbent UNIV ZHEJIANG (CN) 2007-10-17 CN claimed
CN-100497293-C Method of preparing alpha,alpha'-di(substituted benzylidene)cyclone ultraviolet radiation absorbent UNIV ZHEJIANG (CN) 2009-06-10 CN disclosed
CN-101054348-A Method of preparing alpha,alpha'-di(substituted benzylidene)cyclone ultraviolet radiation absorbent UNIV ZHEJIANG (CN) 2007-10-17 CN disclosed