SCHEMBL7950349

SCHEMBL7950349

CC(C)(C)c1ccc(CCCCCCCCCCCCCCCCCC[PH](O)(O)O)c(C(C)(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
ALOX15 P16050 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP2D6 P10635 2/20 0.34
GHSR Q92847 1/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP3A4 P08684 2/20 0.32
TSHR P16473 2/20 0.32
TP53 P04637 1/20 0.32
ALOX5 P09917 1/20 0.32
TYR P14679 1/20 0.32
HTT P42858 1/20 0.32
KCNH2 Q12809 1/20 0.32
GAA P10253 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
SCHEMBL7159715 1.00 CYP1A2 (0.36) CYP1A2CYP2C19ALOX15TDP1ALDH1A1
SCHEMBL7157830 1.00 CYP1A2 (0.36) CYP1A2CYP2C19ALOX15TDP1ALDH1A1
SCHEMBL2895922 1.00 CYP1A2 (0.36) CYP1A2CYP2C19ALOX15TDP1ALDH1A1
SCHEMBL7954073 0.84 HSPA5 (0.37) CYP2C19ALOX15TDP1ALDH1A1HSD17B10
SCHEMBL10442609 0.79 CYP1A2 (0.47) CYP1A2CYP2C19ALOX15TDP1ALDH1A1
SCHEMBL27878425 0.78 CYP1A2 (0.41) CYP1A2CYP2C19ALOX15TDP1ALDH1A1
SCHEMBL6910426 0.78 ALDH1A1 (0.42) ALOX15TDP1ALDH1A1HPGDHSD17B10
SCHEMBL2873123 0.77 CYP2C9 (0.35) CYP1A2CYP2C19ALOX15TDP1ALDH1A1
SCHEMBL11500761 0.77 S1PR2 (0.35) CYP1A2CYP2C19GHSRF10PRSS1
SCHEMBL7157824 0.77 CYP1A2 (0.33) CYP1A2CYP2C19ALOX15TDP1ALDH1A1

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