SCHEMBL7954073

SCHEMBL7954073

Cc1ccc(CCCCCCCC[PH](O)(O)O)c(C(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
HIF1A Q16665 2/20 0.36
TYR P14679 3/20 0.35
ALDH1A1 P00352 1/20 0.35
CA2 P00918 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP2D6 P10635 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX5 P09917 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 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
SCHEMBL7157830 0.84 CYP1A2 (0.36) CYP2C9CYP2C19TYRALDH1A1HTT
SCHEMBL7159715 0.84 CYP1A2 (0.36) CYP2C9CYP2C19TYRALDH1A1HTT
SCHEMBL2895922 0.84 CYP1A2 (0.36) CYP2C9CYP2C19TYRALDH1A1HTT
SCHEMBL7950349 0.84 CYP1A2 (0.36) CYP2C9CYP2C19TYRALDH1A1HTT
SCHEMBL28447062 0.77 ESR1 (0.46) HSPA5SMN1; SMN2CYP2C9CYP2C19HIF1A
SCHEMBL28447064 0.77 ALDH1A1 (0.46) HSPA5SMN1; SMN2CYP2C9CYP2C19HIF1A
SCHEMBL7954071 0.77 HTT (0.38) HSPA5SMN1; SMN2CYP2C9CYP2C19HIF1A
SCHEMBL28959035 0.74 HSPA5 (0.39) HSPA5SMN1; SMN2CYP2C9CYP2C19HIF1A
SCHEMBL10611171 0.74 HSPA5 (0.47) HSPA5SMN1; SMN2CYP2C9CYP2C19HIF1A
SCHEMBL28121848 0.72 HSPA5 (0.41) HSPA5SMN1; SMN2CYP2C9CYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6231804-B1 USED FOR HOLLOW CONTAINERS, A FILM, A SHEET, A PIPE, FIBER AND MOLDING;A BLEND OF HIGH MOLECULAR WEIGHT POLYETHYLENE COPOLYMER,AN OLEFIN HOMO OR COPLYMER CHISSO CORPORATION (JP) 2001-05-15 US disclosed
EP-0972800-A1 MODIFIED OLEFIN (CO)POLYMER COMPOSITION, PROCESS FOR PREPARING THE SAME, AND MODIFIED OLEFIN (CO)POLYMER COMPOSITION MOLDING CHISSO CORPORATION (JP) 2000-01-19 EP disclosed