SCHEMBL8943653

SCHEMBL8943653

CCOc1ccc(N(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.55
NQO1 P15559 1/20 0.52
RELA Q04206 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
CA4 P22748 1/20 0.46
MAPK1 P28482 1/20 0.45
TSHR P16473 2/20 0.45
ESR1 P03372 2/20 0.45
AHR P35869 1/20 0.45
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL12012640 1.00 LTA4H (0.55) LTA4HNQO1RELAL3MBTL1GAA
SCHEMBL8943626 0.92 NQO1 (0.61) LTA4HNQO1GAAMAPTMAPK1
SCHEMBL8944288 0.92 NQO1 (0.61) LTA4HNQO1GAAMAPTMAPK1
SCHEMBL8944052 0.92 LTA4H (0.63) LTA4HNQO1RELAL3MBTL1GAA
SCHEMBL6306948 0.92 LTA4H (0.63) LTA4HNQO1RELAL3MBTL1GAA
SCHEMBL8943971 0.91 LTA4H (0.70) LTA4HNQO1RELAL3MBTL1CA4
SCHEMBL8943988 0.89 L3MBTL1 (0.59) LTA4HL3MBTL1MAPTCA4TSHR
SCHEMBL13720711 0.88 CA4 (0.59) LTA4HL3MBTL1MAPTCA4ALDH1A1
SCHEMBL10065630 0.88 CA4 (0.59) LTA4HL3MBTL1MAPTCA4ALDH1A1
SCHEMBL13720596 0.88 CA4 (0.59) LTA4HL3MBTL1MAPTCA4ALDH1A1

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-5480765-A PRESSURE AND HEAT SENSITIVE PAPER, IMPROVED PHOTOSTABILITY BY ADDITION OF TRIARYLAMINE COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1996-01-02 US disclosed