SCHEMBL7521112

SCHEMBL7521112

CCCC(c1ccc(C(C)(C)C(C)O)cc1)(c1ccc(C(C)(C)C(C)O)cc1)c1ccc(C(C)(C)C(C)O)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.38
ESR2 Q92731 4/20 0.38
RORC P51449 1/20 0.36
AR P10275 1/20 0.35
KIF11 P52732 8/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
GRIN1 Q05586 4/20 0.33
GRIN2A Q12879 4/20 0.33
GRIN2D O15399 3/20 0.33
GRIN2C Q14957 3/20 0.33
GRIN2B Q13224 2/20 0.33

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
SCHEMBL28375567 0.74 CA2 (0.46) ESR1KIF11
SCHEMBL7521100 0.74 GRIN1 (0.34) KIF11GRIN1GRIN2AGRIN2DGRIN2C
SCHEMBL673356 0.73 ESR1 (0.68) ESR1ESR2ARKIF11
SCHEMBL2429063 0.72 ALDH1A1 (0.46) ESR1ESR2GRIN1GRIN2A
SCHEMBL950778 0.72 KIF11 (0.54) KIF11
SCHEMBL7806611 0.71 ESR1 (0.64) ESR1ESR2ARKIF11
SCHEMBL312177 0.71 ESR1 (0.59) ESR1ESR2KIF11
SCHEMBL28757107 0.71 ESR1 (0.59) ESR1ESR2KIF11
Ammonia Solution, Strong SCHEMBL28224949 0.70 ALDH1A1 (0.44) ESR1ESR2GRIN1GRIN2A
Iodide SCHEMBL28747539 0.70 KIF11 (0.52) KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6475522-B1 Synthetic polymer compositions containing antibiotics as antidegradants HAMMOND GROUP, INC. 2002-11-05 US disclosed
US-20020086058-A1 Synthetic polymer compositions containing antibiotics as antidegradants HAMMOND GROUP, INC. (US) 2002-07-04 US disclosed
EP-1188787-A1 Synthetic polymer compositions containing antibiotics as antidegradents Hammond Group, Inc. (US) 2002-03-20 EP disclosed