SCHEMBL10789482

SCHEMBL10789482

COc1cc(C(C)(C)C)c([PH](O)(Cl)Cl)c(C(C)(C)C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
ALDH1A1 P00352 4/20 0.37
GAA P10253 1/20 0.37
ALOX15 P16050 3/20 0.36
CYP3A4 P08684 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
EGFR P00533 1/20 0.33
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
ATP2A2 P16615 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ATP2A3 Q93084 1/20 0.32
TNFRSF1A P19438 1/20 0.31
LPAR1 Q92633 1/20 0.31
HPN P05981 1/20 0.31
SIRT5 Q9NXA8 1/20 0.31

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
SCHEMBL10792862 0.80 CA1 (0.35) CA1CA2CYP3A4TP53PTGS2
SCHEMBL9304980 0.78 GABRA1 (0.39) CA1CA2ALDH1A1ALOX15CYP3A4
SCHEMBL8352460 0.78 SMN1; SMN2 (0.52) CA1CA2ALDH1A1ALOX15CYP3A4
Lithium Ion SCHEMBL6312687 0.75 CA1 (0.59) CA1CA2ALDH1A1GAAALOX15
SCHEMBL10790668 0.75 CA1 (0.43) CA1CA2ALDH1A1GAALMNA
SCHEMBL10792703 0.73 HSPA5 (0.49) CA1CA2ALDH1A1GAAALOX15
SCHEMBL39130 0.73 CA2 (1.00) CA1CA2ALDH1A1GAAALOX15
SCHEMBL10957455 0.71 CA2 (0.50) CA1CA2ALDH1A1ALOX15LMNA
SCHEMBL10791312 0.70 GAA (0.38) ALDH1A1GAAALOX15CYP3A4LMNA
SCHEMBL22360314 0.70 CA1 (0.64) CA1CA2ALDH1A1GAAALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0128368-B1 2,4,6-TRIS(SUBSTITUTED PHENOXY)-1,3,5,2,4,6-TRIOXATRIPHOSPHORINANES The B.F. GOODRICH Company (US) 1987-08-12 EP disclosed
US-4590017-A 2,4-bis-(2,6-di-t-alkyl-4-substituted-phenoxy)-1,3,2,4-dioxadiphosphetanes THE B. F. GOODRICH COMPANY (US) 1986-05-20 US disclosed
US-4515733-A Method for making 1,3,5,2,4,6-trioxatriphosphorinanes THE B. F. GOODRICH CO. (US) 1985-05-07 US disclosed
US-4507416-A 2,4,6-Tris(substituted phenoxy)-1,3,5,2,4,6-trioxatriphosphorinanes as stabilizers THE B. F. GOODRICH COMPANY (US) 1985-03-26 US disclosed