SCHEMBL7942151

SCHEMBL7942151

CC(C)(C)CC(C)(C)c1ccc(OP(F)Oc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
SHBG P04278 1/20 0.50
MDH1 P40925 9/20 0.43
MDH2 P40926 9/20 0.43
MAPT P10636 3/20 0.38
HIF1A Q16665 3/20 0.38
MEN1 O00255 2/20 0.38
APAF1 O14727 2/20 0.38
USP2 O75604 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
ERBB2 P04626 2/20 0.38
TP53 P04637 2/20 0.38
FYN P06241 2/20 0.38
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM5 P08912 2/20 0.38
ADRA2A P08913 2/20 0.38
HSPD1 P10809 2/20 0.38

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
SCHEMBL7942162 0.86 CYP3A4 (0.54) CYP3A4SMN1; SMN2SHBGMDH1MDH2
SCHEMBL11237754 0.85 CYP3A4 (0.56) CYP3A4SMN1; SMN2SHBGMDH1MDH2
SCHEMBL7952161 0.83 NPC1 (0.53) MAPTALDH1A1HRH3NPC1RAB9A
SCHEMBL9377006 0.81 CYP3A4 (0.57) CYP3A4SMN1; SMN2SHBGMDH1MDH2
SCHEMBL9514414 0.80 MAPT (0.48) SMN1; SMN2MAPTALDH1A1LMNATSHR
SCHEMBL7104936 0.79 SMN1; SMN2 (0.50) CYP3A4SMN1; SMN2SHBGMDH1MDH2
SCHEMBL28747587 0.78 CYP3A4 (0.61) CYP3A4SMN1; SMN2SHBGMDH1MDH2
SCHEMBL480668 0.78 CYP3A4 (0.61) CYP3A4SMN1; SMN2SHBGMDH1MDH2
SCHEMBL7166618 0.76 CYP3A4 (0.59) CYP3A4SMN1; SMN2SHBGMDH1MDH2
SCHEMBL10414612 0.76 CYP2D6 (0.43) CYP3A4SMN1; SMN2SHBGMDH1MDH2

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