Sugi Predict

Sugi Predict / Compounds / SCHEMBL15435989

SCHEMBL15435989

SCHEMBL15435989

CCCCCCCCCCCCCCCCCC(=O)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](OC(=O)CCCCCCCCCCCCCCCCC)[C@@H]1OC(=O)CCCCCCCCCCCCCCCCC

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.42
▸ TLR4 O00206 4/20 0.41
▸ GJB2 P29033 1/20 0.40
▸ LY96 Q9Y6Y9 3/20 0.40
▸ TK2 O00142 1/20 0.40

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
SCHEMBL15435985 1.00 AKT1 (0.42) AKT1TLR4GJB2LY96TK2
SCHEMBL11504137 1.00 AKT1 (0.42) AKT1TLR4GJB2LY96TK2
SCHEMBL7052046 0.95 TLR4 (0.46) TLR4
SCHEMBL15435982 0.92 AKT1 (0.43) AKT1
SCHEMBL15436002 0.92 AKT1 (0.43) AKT1
SCHEMBL4795989 0.92 AKT1 (0.43) AKT1
SCHEMBL10767543 0.92 AKT1 (0.43) AKT1
SCHEMBL758333 0.92 AKT1 (0.43) AKT1
SCHEMBL3025384 0.92 AKT1 (0.43) AKT1
SCHEMBL6244259 0.90 TLR4 (0.39) TLR4LY96TK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150246992-A1 AQUEOUS LIQUID ABSORBING RESIN, AQUEOUS LIQUID ABSORBING COMPOSITION, AND ABSORBENT BODY AND ABSORBENT ARTICLE USING SAME SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2015-09-03 — — US disclosed
EP-2899224-A1 AQUEOUS LIQUID ABSORBING RESIN, AQUEOUS LIQUID ABSORBING COMPOSITION, AND ABSORBENT BODY AND ABSORBENT ARTICLE USING SAME Sanyo Chemical Industries, Ltd. (JP) 2015-07-29 — — EP disclosed
EP-2690133-A1 AQUEOUS-LIQUID-ABSORBABLE RESIN, AQUEOUS-LIQUID-ABSORBABLE COMPOSITION, AND ABSORBER MATERIAL AND ABSORBABLE OBJECT EACH PRODUCED USING SAME Sanyo Chemical Industries, Ltd. (JP) 2014-01-29 — — EP disclosed