SCHEMBL14382000

SCHEMBL14382000

CCOC(=O)/C(O)=C/c1ccc(CC2c3ccc(OCc4ccccc4)cc3CCN2c2ccc(F)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.41
MMP2 P08253 3/20 0.41
MMP7 P09237 3/20 0.41
MMP9 P14780 3/20 0.41
MMP12 P39900 3/20 0.41
MMP14 P50281 3/20 0.41
MMP15 P51511 3/20 0.41
MMP16 P51512 3/20 0.41
MMP26 Q9NRE1 3/20 0.41
GRIN1 Q05586 3/20 0.40
GRIN2B Q13224 3/20 0.40
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
GHSR Q92847 6/20 0.37

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
SCHEMBL14404660 0.92 PPARA (0.36)
SCHEMBL14382001 0.85 ESR1 (0.43) MMP1MMP2MMP7MMP9MMP12
SCHEMBL5108646 0.80 ESR1 (0.49) GRIN1GRIN2BESR1ESR2
SCHEMBL5640588 0.77 GRIN1 (0.42) MMP1MMP2MMP7MMP9MMP12
SCHEMBL5102614 0.77 GRIN1 (0.53) MMP1MMP2MMP7MMP9MMP12
SCHEMBL14404661 0.76 CA1 (0.37) ESR1ESR2
SCHEMBL5109199 0.76 ESR1 (0.63) GRIN1GRIN2BESR1ESR2
SCHEMBL5640979 0.74 ESR1 (0.49) MMP1MMP2MMP7MMP9MMP12
SCHEMBL5640974 0.74 ESR1 (0.49) MMP1MMP2MMP7MMP9MMP12
SCHEMBL5640297 0.74 MAPT (0.51) GRIN1GRIN2BESR1ESR2GHSR

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-7279489-B2 Compounds and methods for modulation of estrogen receptors SIGNAL PHARMACEUTICALS, LLC (US) 2007-10-09 US disclosed