SCHEMBL7794845

SCHEMBL7794845

O=C(O)CCc1ccc(O)c(C2CCCCC2)c1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.67
BACE1 P56817 1/20 0.67
THRB P10828 5/20 0.50
FFAR1 O14842 4/20 0.48
FFAR4 Q5NUL3 2/20 0.48
HSP90AA1 P07900 1/20 0.48
THRA P10827 4/20 0.46
CCR5 P51681 1/20 0.44
PTGDR2 Q9Y5Y4 3/20 0.44
S1PR1 P21453 1/20 0.43
S1PR3 Q99500 1/20 0.43
S1PR5 Q9H228 1/20 0.43
ACMSD Q8TDX5 2/20 0.43

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
SCHEMBL8422431 0.88 NUDT1 (0.53) NUDT1BACE1THRBFFAR1FFAR4
SCHEMBL25311141 0.87 NUDT1 (0.65) NUDT1BACE1THRBHSP90AA1THRA
SCHEMBL10597858 0.86 BACE1 (0.81) NUDT1BACE1THRBHSP90AA1THRA
SCHEMBL7796460 0.85 THRB (0.62) NUDT1BACE1THRBHSP90AA1THRA
SCHEMBL10503367 0.85 NUDT1 (0.62) NUDT1BACE1THRBHSP90AA1THRA
SCHEMBL38822 0.83 THRB (0.50) NUDT1BACE1THRBFFAR1FFAR4
SCHEMBL10595253 0.83 NUDT1 (0.77) NUDT1BACE1THRBHSP90AA1THRA
SCHEMBL10596917 0.83 NUDT1 (0.77) NUDT1BACE1THRBHSP90AA1THRA
Ammonia Solution, Strong SCHEMBL4052129 0.82 THRB (0.49) NUDT1BACE1THRBFFAR1FFAR4
SCHEMBL10594734 0.81 NUDT1 (0.74) NUDT1BACE1THRBHSP90AA1THRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1404501-A Stabilizer mixtures for polyolefins CIBA SC HOLDING AG (CH) 2003-03-19 CN disclosed
EP-0823435-B1 Phosphites, process for producing the same and their use SUMITOMO CHEMICAL CO (JP) 2001-11-21 EP disclosed
US-6242514-B1 CYCLIC PHOSPHATE OR PHOSPHONATE; HEAT AND OXIDATION STABILIZER ESPECIALLY FOR OLEFIN POLYMERS AND ENGINEERING THERMOPLASTICS SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2001-06-05 US disclosed
US-5914361-A IMPART HEAT STABILITY TO ORGANIC MATERIALS, INCLUDING POLYOLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-06-22 US disclosed
US-5889095-A OXYGEN AND HEAT RESISTANCE SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1999-03-30 US disclosed
EP-0823435-A2 Phosphites, process for producing the same and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-02-11 EP disclosed
EP-0479724-A2 Piperidine-triazine compounds for use as stabilisers for organic materials CIBA-GEIGY AG (CH) 1992-04-08 EP disclosed