SCHEMBL9956484

SCHEMBL9956484

CCCCC1(CC(C)(C)C)Cc2cc(OC)ccc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
METAP1 P53582 4/20 0.38
BACE1 P56817 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
MPO P05164 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
PRNP P04156 1/20 0.36
DYRK1A Q13627 1/20 0.36
PPIB P23284 1/20 0.35
MAPK14 Q16539 1/20 0.35
CYP24A1 Q07973 2/20 0.34
CYP27A1 Q02318 1/20 0.34
UTS2R Q9UKP6 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34

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
SCHEMBL4859451 0.84 METAP1 (0.40) SMN1; SMN2METAP1BACE1CA1CA2
SCHEMBL4856946 0.83 SMN1; SMN2 (0.43) SMN1; SMN2METAP1BACE1CA1CA2
SCHEMBL2419171 0.82 BACE1 (0.44) SMN1; SMN2METAP1BACE1CA1CA2
SCHEMBL2417911 0.81 BACE1 (0.43) SMN1; SMN2METAP1BACE1CA1CA2
SCHEMBL21553806 0.80 SMN1; SMN2 (0.45) SMN1; SMN2METAP1CA1CA2CA4
SCHEMBL6855815 0.78 METAP1 (0.43) SMN1; SMN2METAP1BACE1CA1CA2
SCHEMBL4857308 0.77 SMN1; SMN2 (0.46) SMN1; SMN2METAP1MPOESR1ESR2
SCHEMBL4857128 0.74 SMN1; SMN2 (0.52) SMN1; SMN2CA1CA2CA4CA7
SCHEMBL6862389 0.74 METAP1 (0.44) SMN1; SMN2METAP1BACE1CA1CA2
SCHEMBL6860603 0.74 METAP1 (0.47) SMN1; SMN2METAP1CA1CA2CA4

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
EP-2655431-A1 BRIDGED METALLOCENE CATALYSTS Borealis AG (AT) 2013-10-30 EP disclosed
WO-2012084961-A1 BRIDGED METALLOCENE CATALYSTS BOREALIS AG (AT) 2012-06-28 WO disclosed