SCHEMBL9809379

SCHEMBL9809379

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

nearest known ligand 0.44

Predicted protein targets (top 16)

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
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NAAA Q02083 2/20 0.36
HTT P42858 1/20 0.35
FFAR1 O14842 2/20 0.34
CYP19A1 P11511 2/20 0.33
DPP4 P27487 1/20 0.33
FABP7 O15540 1/20 0.32
FABP5 Q01469 1/20 0.32

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
SCHEMBL9809367 0.86 CA12 (0.42) L3MBTL1CA12CA1CA2CA9
SCHEMBL5050116 0.82 L3MBTL1 (0.54) L3MBTL1CA12CA1CA2CA9
SCHEMBL28874666 0.80 L3MBTL1 (0.51) L3MBTL1CYP2C19EPHX1ALDH1A1SMN1; SMN2
SCHEMBL9809371 0.72 L3MBTL1 (0.44) L3MBTL1CA12CA1CA2CA9
SCHEMBL6906185 0.72 SMN1; SMN2 (0.44) L3MBTL1CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL7780247 0.71 L3MBTL1 (0.54) L3MBTL1CYP2C19EPHX1ALDH1A1NAAA
SCHEMBL7780245 0.71 L3MBTL1 (0.54) L3MBTL1CYP2C19EPHX1ALDH1A1NAAA
SCHEMBL28902096 0.70 L3MBTL1 (0.52) L3MBTL1CYP2C19EPHX1ALDH1A1SMN1; SMN2
SCHEMBL11177126 0.70 L3MBTL1 (0.42) L3MBTL1CA12CA1CA2CA9
Malic Acid SCHEMBL3001119 0.69 SMN1; SMN2 (0.58) ALDH1A1SMN1; SMN2

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 5 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