SCHEMBL2815053

SCHEMBL2815053

CC(=O)C1=C(C)OC(C)=C(C(C)=O)C1c1ccccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
ALDH1A1 P00352 5/20 0.54
KDM4E B2RXH2 4/20 0.54
KMT2A Q03164 3/20 0.54
ABCC4 O15439 2/20 0.54
CACNA1F O60840 2/20 0.54
ABCB11 O95342 2/20 0.54
LMNA P02545 2/20 0.54
CYP1A2 P05177 2/20 0.54
ADORA3 P0DMS8 2/20 0.54
ADORA2A P29274 2/20 0.54
ADORA1 P30542 2/20 0.54
OPRM1 P35372 2/20 0.54
SCN1A P35498 2/20 0.54
HTR2B P41595 2/20 0.54
CACNA1D Q01668 2/20 0.54
KCNH2 Q12809 2/20 0.54
CACNA1S Q13698 2/20 0.54
CACNA1C Q13936 2/20 0.54
SCN5A Q14524 2/20 0.54

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
SCHEMBL29358809 0.82 CACNA1C (0.73) MAPTALDH1A1KDM4EKMT2AABCC4
SCHEMBL202183 0.82 CACNA1C (0.73) MAPTALDH1A1KDM4EKMT2AABCC4
SCHEMBL3142647 0.78 KDM4E (0.52) MAPTALDH1A1KDM4EKMT2AABCC4
SCHEMBL9138577 0.78 CACNA1C (0.67) MAPTALDH1A1KDM4EKMT2AABCC4
SCHEMBL3749490 0.76 ALDH1A1 (0.54) MAPTALDH1A1KDM4EKMT2AABCC4
SCHEMBL11795113 0.76 TSHR (0.56) MAPTALDH1A1KDM4EKMT2AABCC4
SCHEMBL8048696 0.75 ADORA3 (0.90) MAPTALDH1A1KDM4EKMT2AABCC4
SCHEMBL16272636 0.75 CACNA1C (0.62) MAPTALDH1A1KDM4EKMT2AABCC4
SCHEMBL3751732 0.74 ALDH1A1 (0.52) MAPTALDH1A1KDM4EKMT2AABCC4
SCHEMBL4608748 0.73 CACNA1C (0.73) MAPTALDH1A1KDM4EKMT2AABCC4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100244328-A1 CURABLE COMPOSITION FOR PHOTOIMPRINT, AND METHOD FOR PRODUCING CURED PRODUCT USING SAME FUJIFILM CORPORATION (JP) 2010-09-30 US disclosed