SCHEMBL31280313

SCHEMBL31280313

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

nearest known ligand 0.86

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 20/20 0.86
NR3C1 P04150 1/20 0.68
CYP2C9 P11712 1/20 0.68
CYP2C19 P33261 1/20 0.68
SLC6A3 Q01959 1/20 0.68
ESR2 Q92731 1/20 0.68

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
SCHEMBL767553 1.00 ESR1 (0.86) ESR1NR3C1CYP2C9CYP2C19SLC6A3
SCHEMBL767554 1.00 ESR1 (0.86) ESR1NR3C1CYP2C9CYP2C19SLC6A3
SCHEMBL767429 0.93 ESR1 (1.00) ESR1
SCHEMBL767446 0.93 ESR1 (1.00) ESR1
SCHEMBL767445 0.93 ESR1 (1.00) ESR1
SCHEMBL767430 0.93 ESR1 (1.00) ESR1
SCHEMBL767285 0.92 ESR1 (0.86) ESR1NR3C1CYP2C9CYP2C19SLC6A3
SCHEMBL767284 0.92 ESR1 (0.86) ESR1NR3C1CYP2C9CYP2C19SLC6A3
SCHEMBL767114 0.91 ESR1 (0.85) ESR1NR3C1CYP2C9CYP2C19SLC6A3
SCHEMBL767310 0.91 ESR1 (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113490850-B Diagnostic and therapeutic methods for treating breast cancer 基因泰克公司 2024-12-06 CN disclosed