SCHEMBL14382001

SCHEMBL14382001

Cc1ccc(CC2c3ccc(OCc4ccccc4)cc3CCN2c2ccc(F)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.43
ESR2 Q92731 2/20 0.43
GRIN1 Q05586 5/20 0.43
GRIN2B Q13224 5/20 0.43
MMP1 P03956 3/20 0.42
MMP2 P08253 3/20 0.42
MMP7 P09237 3/20 0.42
MMP9 P14780 3/20 0.42
MMP12 P39900 3/20 0.42
MMP14 P50281 3/20 0.42
MMP15 P51511 3/20 0.42
MMP16 P51512 3/20 0.42
MMP26 Q9NRE1 3/20 0.42
MAPT P10636 1/20 0.42
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL14404661 0.89 CA1 (0.37) ESR1ESR2
SCHEMBL5108646 0.88 ESR1 (0.49) ESR1ESR2GRIN1GRIN2BMAPT
SCHEMBL14382000 0.85 MMP1 (0.41) ESR1ESR2GRIN1GRIN2BMMP1
SCHEMBL5109199 0.82 ESR1 (0.63) ESR1ESR2GRIN1GRIN2BHRH3
SCHEMBL5640907 0.81 ESR1 (0.53) ESR1ESR2GRIN1GRIN2BMMP1
SCHEMBL5102975 0.81 ESR1 (0.53) ESR1ESR2GRIN1GRIN2BHRH3
SCHEMBL5108778 0.81 ESR1 (0.53) ESR1ESR2GRIN1GRIN2BHRH3
SCHEMBL5102614 0.81 GRIN1 (0.53) ESR1ESR2GRIN1GRIN2BMMP1
SCHEMBL5641228 0.80 GRIN1 (0.60) ESR1ESR2GRIN1GRIN2BHRH3
SCHEMBL5113517 0.79 ESR1 (0.49) ESR1ESR2MMP1MMP2MMP7

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