SCHEMBL27745819

SCHEMBL27745819

COc1ccc(-c2ccc3c(c2)[CH]c2cc(-c4ccc(OC)cc4)ccc2-3)cc1.Cl[Zr]Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.44
ABCB1 P08183 2/20 0.44
BCR P11274 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP3 P42574 1/20 0.43
RAB9A P51151 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
ESR2 Q92731 1/20 0.42
ALKBH3 Q96Q83 1/20 0.42
DYRK1A Q13627 2/20 0.42
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
PGR P06401 1/20 0.40
AR P10275 1/20 0.40
CA1 P00915 1/20 0.39

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
SCHEMBL7633767 0.76 CA1 (0.48) SMN1; SMN2NPC1RAB9ACA12CA9
SCHEMBL27651364 0.74 ABL1 (0.38) ABL1ABCB1BCRSMN1; SMN2NPC1
SCHEMBL16234714 0.74 ABL1 (0.55) ABL1ABCB1BCRSMN1; SMN2NPC1
SCHEMBL6733562 0.71 CA1 (0.79) ABL1ABCB1BCRSMN1; SMN2NPC1
SCHEMBL197522 0.71 CA1 (0.79) ABL1ABCB1BCRSMN1; SMN2NPC1
SCHEMBL9151672 0.71 CA1 (0.79) ABL1ABCB1BCRSMN1; SMN2NPC1
SCHEMBL2051093 0.70 CA12 (0.41) NPC1CASP3RAB9ASENP8SENP7
SCHEMBL22073083 0.69 DYRK1A (0.52) ABL1ABCB1BCRSMN1; SMN2NPC1
SCHEMBL28147639 0.69 HSD17B1 (0.68) ABL1ABCB1BCRSMN1; SMN2NPC1
SCHEMBL10801732 0.69 ABL1 (0.50) ABL1ABCB1BCRSMN1; SMN2NPC1

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-101341176-A Ethylene polymer, catalyst for producing ethylene polymer, and method for producing ethylene polymer TOSOH CORP (JP) 2009-01-07 CN disclosed