SCHEMBL28084286

SCHEMBL28084286

CC(C)(C)CC(C)(C)c1ccc(OP(=O)(O)O)c(C(C)(C)CC(C)(C)C)c1.[MgH2]

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.40
INPPL1 O15357 8/20 0.39
INPP5A Q14642 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
AKT1 P31749 1/20 0.39
INPP5B P32019 2/20 0.38
CYP3A4 P08684 3/20 0.37
MDH1 P40925 3/20 0.36
MDH2 P40926 3/20 0.36
CYP2D6 P10635 1/20 0.36
HIF1A Q16665 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL28069040 0.83 SMN1; SMN2 (0.39) SHBGSMN1; SMN2MEN1ALDH1A1MAPK1
SCHEMBL7952140 0.82 MAPK1 (0.56) INPPL1INPP5ASMN1; SMN2MEN1ALDH1A1
SCHEMBL8987619 0.82 SHBG (0.39) SHBGINPPL1INPP5ASMN1; SMN2MEN1
SCHEMBL1354464 0.79 INPPL1 (0.44) INPPL1INPP5AALDH1A1NPSR1AKT1
SCHEMBL27864987 0.77 INPPL1 (0.44) INPPL1INPP5AALDH1A1MAPK1NPSR1
SCHEMBL431782 0.75 INPPL1 (0.46) INPPL1INPP5AALDH1A1MAPK1NPSR1
SCHEMBL1354466 0.75 CYP3A4 (0.54) SHBGINPPL1INPP5ASMN1; SMN2CYP3A4
SCHEMBL30744579 0.75 INPPL1 (0.46) INPPL1INPP5AALDH1A1MAPK1NPSR1
SCHEMBL7456553 0.75 SHBG (0.40) SHBGSMN1; SMN2MEN1ALDH1A1MAPK1
SCHEMBL10809182 0.75 SHBG (0.40) SHBGSMN1; SMN2MEN1ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104250396-B A kind of polypropene composition and polypropylene film 中国石油化工股份有限公司 2016-08-17 CN disclosed