SCHEMBL11237754

SCHEMBL11237754

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
SHBG P04278 1/20 0.53
MDH1 P40925 9/20 0.41
MDH2 P40926 9/20 0.41
HIF1A Q16665 4/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
APAF1 O14727 2/20 0.40
USP2 O75604 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
ERBB2 P04626 2/20 0.40
TP53 P04637 2/20 0.40
FYN P06241 2/20 0.40
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
CHRM5 P08912 2/20 0.40
ADRA2A P08913 2/20 0.40
HSPD1 P10809 2/20 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
SCHEMBL7104936 0.93 SMN1; SMN2 (0.50) CYP3A4SMN1; SMN2SHBGMDH1MDH2
SCHEMBL9377006 0.85 CYP3A4 (0.57) CYP3A4SMN1; SMN2SHBGMDH1MDH2
SCHEMBL7942151 0.85 CYP3A4 (0.53) CYP3A4SMN1; SMN2SHBGMDH1MDH2
SCHEMBL7942162 0.82 CYP3A4 (0.54) CYP3A4SMN1; SMN2SHBGMDH1MDH2
SCHEMBL561194 0.82 NPC1 (0.56) MAPTALDH1A1HRH3NPC1RAB9A
SCHEMBL480668 0.81 CYP3A4 (0.61) CYP3A4SMN1; SMN2SHBGMDH1MDH2
SCHEMBL28747587 0.81 CYP3A4 (0.61) CYP3A4SMN1; SMN2SHBGMDH1MDH2
SCHEMBL11399196 0.80 CYP3A4 (0.46) CYP3A4SMN1; SMN2SHBGHIF1AMAPT
SCHEMBL11386541 0.80 CYP3A4 (0.46) CYP3A4SMN1; SMN2SHBGHIF1AMAPT
SCHEMBL7166618 0.79 CYP3A4 (0.59) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104508031-B Phosphite compositions 瑞士新集团有限公司 2020-10-16 CN disclosed
EP-2880092-B1 PHOSPHITE COMPOSITIONS SI GROUP SWITZERLAND CHAA GMBH (CH) 2020-09-30 EP disclosed
US-20150073073-A1 PHOSPHITE COMPOSITIONS ADDIVANT USA, LLC 2015-03-12 US disclosed
US-4340514-A RESINATES INTERSTAB CHEMICALS INC. (US) 1982-07-20 US disclosed