SCHEMBL27651920

SCHEMBL27651920

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.68
AKR1C4 P17516 1/20 0.68
AKR1C3 P42330 1/20 0.68
AKR1C2 P52895 1/20 0.68
AKR1C1 Q04828 1/20 0.68
NPC1 O15118 1/20 0.52
MAPT P10636 1/20 0.52
RAB9A P51151 1/20 0.52
ALDH1A1 P00352 1/20 0.52

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
SCHEMBL1516558 1.00 ESR1 (0.68) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL78664 1.00 ESR1 (0.68) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL30573070 1.00 ESR1 (0.68) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL539846 1.00 ESR1 (0.68) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL13509243 1.00 ESR1 (0.68) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL439370 1.00 ESR1 (0.68) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL1264788 1.00 ESR1 (0.68) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL5909518 1.00 ESR1 (0.68) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL16281811 1.00 ESR1 (0.68) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL3787581 1.00 ESR1 (0.68) ESR1AKR1C4AKR1C3AKR1C2AKR1C1

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
CN-1803914-B Polypropylene resin composition and formed article SUMITOMO CHEMICAL CO 2011-08-03 CN disclosed
CN-1803914-A Polypropylene resin composition and formed article SUMITOMO CHEMICAL CO (JP) 2006-07-19 CN disclosed