SCHEMBL898756

SCHEMBL898756

CCC(C)(C)c1ccc(C)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 4/20 0.47
NPC1 O15118 3/20 0.47
MAPK1 P28482 3/20 0.47
RAB9A P51151 3/20 0.47
CASP3 P42574 2/20 0.47
SENP7 Q9BQF6 2/20 0.47
SENP6 Q9GZR1 2/20 0.47
ATM Q13315 1/20 0.47
SENP8 Q96LD8 1/20 0.47
ALDH1A1 P00352 5/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
CYP3A4 P08684 2/20 0.46
TSHR P16473 2/20 0.46
HBB P68871 1/20 0.46
ELANE P08246 1/20 0.42
NSD2 O96028 1/20 0.41
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
MAOA P21397 3/20 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
SCHEMBL187695 0.80 MAPK1 (0.54) SMN1; SMN2LMNANPC1MAPK1RAB9A
SCHEMBL30069214 0.80 MAPK1 (0.54) SMN1; SMN2LMNANPC1MAPK1RAB9A
SCHEMBL30886455 0.78 ALDH1A1 (0.67) SMN1; SMN2LMNANPC1MAPK1RAB9A
SCHEMBL55743 0.78 ALDH1A1 (0.67) SMN1; SMN2LMNANPC1MAPK1RAB9A
SCHEMBL28845188 0.76 SMN1; SMN2 (0.54) SMN1; SMN2LMNANPC1MAPK1RAB9A
SCHEMBL9267831 0.74 ALDH1A1 (0.62) SMN1; SMN2LMNANPC1MAPK1RAB9A
SCHEMBL13168832 0.74 ALDH1A1 (0.53) SMN1; SMN2LMNANPC1MAPK1RAB9A
SCHEMBL18789612 0.73 ALDH1A1 (0.48) SMN1; SMN2LMNANPC1MAPK1RAB9A
SCHEMBL16281847 0.73 ALDH1A1 (0.66) SMN1; SMN2LMNANPC1MAPK1RAB9A
SCHEMBL13168817 0.73 ALDH1A1 (0.51) SMN1; SMN2LMNANPC1MAPK1RAB9A

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
WO-2012041918-A2 PROCESS FOR THE MANUFACTURE OF HYDROGEN PEROXIDE SOLVAY SA (BE) 2012-04-05 WO disclosed