SCHEMBL8926908

SCHEMBL8926908

COc1ccc(S(CCC(=O)O)(CCC(=O)O)c2ccc(OC)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.73
NPSR1 Q6W5P4 1/20 0.73
PDE4B Q07343 1/20 0.51
MMP1 P03956 2/20 0.50
MEP1B Q16820 1/20 0.49
KEAP1 Q14145 3/20 0.49
NFE2L2 Q16236 2/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
FFAR1 O14842 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
PKM P14618 2/20 0.47
MMP2 P08253 2/20 0.47
MMP8 P22894 2/20 0.47
MMP13 P45452 2/20 0.47
MMP12 P39900 1/20 0.47
MMP14 P50281 1/20 0.47
MMP16 P51512 1/20 0.47
CA1 P00915 2/20 0.46

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
SCHEMBL5602804 0.84 HTT (1.00) HTTNPSR1MMP1MEN1KMT2A
SCHEMBL7077677 0.78 HTT (0.82) HTTNPSR1PDE4BMMP1MEN1
SCHEMBL7869959 0.77 HTT (0.83) HTTNPSR1MMP1MEN1KMT2A
SCHEMBL8926887 0.77 KEAP1 (0.46) HTTNPSR1KEAP1MEN1KMT2A
SCHEMBL2945763 0.73 ALDH1A1 (0.69) HTTNPSR1MEP1BKMT2APKM
Butyric Acid SCHEMBL13570500 0.73 HTT (0.60) HTTNPSR1KMT2ACA1CA2
SCHEMBL4592282 0.73 HTT (0.70) HTTNPSR1MMP1KEAP1NFE2L2
SCHEMBL30792366 0.72 FFAR1 (0.81) FFAR1NPC1RAB9APOLB
SCHEMBL274471 0.72 FFAR1 (0.81) FFAR1NPC1RAB9APOLB
SCHEMBL1807043 0.72 L3MBTL1 (0.72) HTTNPSR1PDE4BMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5614571-A Stabilizer blend containing phosphite GENERAL ELECTRIC COMPANY (US) 1997-03-25 US disclosed
US-4863982-A HEAT, LIGHT AND OXIDATION STABILIZERS CIBA-GEIGY CORPORATION (US) 1989-09-05 US disclosed
US-4699939-A OXIDATION RESISTANCE, PHOTOSTABILITY CIBA-GEIGY CORPORATION (US) 1987-10-13 US disclosed
US-4342875-A STABILIZERS FOR OLEFIN POLYMERS CINCINNATI-MILACRON, INC. (US) 1982-08-03 US disclosed
US-4179432-A 2-HYDROXYBENZOPHENONE, ORGANOTIN MERCAPTIDE PHOTOSTABILITY CINCINNATI MILACRON CHEMICALS, INC. (US) 1979-12-18 US disclosed
US-RE29523-E Olefinic polymers stabilized with thioacyl trivalent phosphorus compounds BORG-WARNER CORPORATION (US) 1978-01-24 US disclosed
US-4064100-A HEAT AND LIGHT STABILIZERS FOR POLYMERS, CONTAINERS FOR FOOD WESTON CHEMICAL CO., INC. (US) 1977-12-20 US disclosed
US-4012399-A ULTRAVIOLET LIGHT ABSORBERS AND STABILIZERS CINCINNATI MILACRON CHEMICALS, INC. (US) 1977-03-15 US disclosed
US-4000101-A POLYPROPYLENE WESTON CHEMICAL CORPORATION (US) 1976-12-28 US disclosed
US-3959220-A Polymer additives comprising transition metal complexes with trivalent phosphorous compounds CINCINNATI MILACRON CHEMICALS, INC. (US) 1976-05-25 US disclosed