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SCHEMBL792883

SCHEMBL792883

CC/C(=C(\c1ccc(C=CC(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccccc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 20/20 1.00
▸ NR3C1 P04150 1/20 0.79
▸ CYP2C9 P11712 1/20 0.79
▸ CYP2C19 P33261 1/20 0.79
▸ SLC6A3 Q01959 1/20 0.79
▸ ESR2 Q92731 1/20 0.79

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
SCHEMBL31280843 1.00 ESR1 (1.00) ESR1NR3C1CYP2C9CYP2C19SLC6A3
SCHEMBL767299 1.00 ESR1 (1.00) ESR1NR3C1CYP2C9CYP2C19SLC6A3
SCHEMBL767300 1.00 ESR1 (1.00) ESR1NR3C1CYP2C9CYP2C19SLC6A3
SCHEMBL792882 1.00 ESR1 (1.00) ESR1NR3C1CYP2C9CYP2C19SLC6A3
SCHEMBL28462722 0.90 ESR1 (0.82) ESR1NR3C1CYP2C9CYP2C19SLC6A3
SCHEMBL28464634 0.90 ESR1 (0.82) ESR1NR3C1CYP2C9CYP2C19SLC6A3
SCHEMBL767459 0.90 ESR1 (0.84) ESR1NR3C1CYP2C9CYP2C19SLC6A3
SCHEMBL767458 0.90 ESR1 (0.84) ESR1NR3C1CYP2C9CYP2C19SLC6A3
SCHEMBL31279858 0.90 ESR1 (0.84) ESR1NR3C1CYP2C9CYP2C19SLC6A3
SCHEMBL767457 0.90 ESR1 (0.84) ESR1NR3C1CYP2C9CYP2C19SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012037410-A9 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2012-05-10 — — WO claimed
WO-2012037410-A2 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2012-03-22 — — WO claimed