SCHEMBL9809371

SCHEMBL9809371

O=C(OC1CCCCC1)C(O)CC(=S)OC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
CYP2C19 P33261 1/20 0.40
EPHX1 P07099 2/20 0.39
CYP19A1 P11511 3/20 0.38
NAAA Q02083 2/20 0.36
HTT P42858 1/20 0.35
MMP2 P08253 2/20 0.32
MMP9 P14780 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MMP12 P39900 1/20 0.32
LTA4H P09960 1/20 0.30
ANPEP P15144 1/20 0.30
LAP3 P28838 1/20 0.30
NPEPPS P55786 1/20 0.30
ERAP2 Q6P179 1/20 0.30
ERAP1 Q9NZ08 1/20 0.30

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
SCHEMBL11177126 0.98 L3MBTL1 (0.42) L3MBTL1CA12CA1CA2CA9
SCHEMBL10404332 0.85 L3MBTL1 (0.32) L3MBTL1
SCHEMBL5050116 0.82 L3MBTL1 (0.54) L3MBTL1CA12CA1CA2CA9
SCHEMBL5050113 0.82 CYP2C19 (0.50) L3MBTL1CA12CA1CA2CA9
SCHEMBL28874666 0.80 L3MBTL1 (0.51) L3MBTL1CYP2C19EPHX1CYP19A1NAAA
SCHEMBL17026692 0.80 EPHX1 (0.44) L3MBTL1CA12CA1CA2CA9
SCHEMBL18175919 0.77 EPHX1 (0.41) L3MBTL1CA12CA1CA2CA9
SCHEMBL2256215 0.77 EPHX1 (0.50) L3MBTL1CA12CA1CA2CA9
SCHEMBL3079900 0.77 CA12 (0.44) L3MBTL1CA12CA1CA2CA9
SCHEMBL9809363 0.76 L3MBTL1 (0.39) L3MBTL1CA12CA1CA2CA9

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
US-4985485-A HYDROTALCITE RHONE-POULENC CHIMIE (FR) 1991-01-15 US disclosed
US-4963594-A STABILIZERS OF THIOMALIC ACID DIESTERS, ZINC AND GROUP IIA CARBOXYLIC ACID SALTS AND PHENOLATES; MOLDING MATERIALS, COLORFAST RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1990-10-16 US disclosed
US-4921896-A RED PHOSPHORUS, LANTHANIDE, TALC, ZINC SULFIDE OR ZINC OXIDE RHONE-POULENC CHIMIE (FR) 1990-05-01 US disclosed
US-4612339-A YTTRIUM OR LANTHANDIDE COMPOUND; AMMONIUM, ALKALI OR ALKALINE EARTH METAL HALIDE RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1986-09-16 US disclosed
US-4559372-A ADDITIVES OF RED PHOSPHORUS AND A LANTHANIDE AND/OR YTTRIUM COMPOUND; NONTOXIC;ARC TRACKING RESISTANCE RHONE-POULENC SPECIALITIES CHIMIQUES (FR) 1985-12-17 US disclosed
EP-0011456-B1 ORGANOTIN COMPOUNDS AND RESINS OR POLYMERS STABILIZED THEREWITH M & T CHEMICALS, INC. (US) 1983-09-07 EP disclosed
US-4254017-A HEAT STABILIZER FOR POLYVINYL CHLORIDE M&T CHEMICALS INC. (US) 1981-03-03 US disclosed