SCHEMBL4410083

SCHEMBL4410083

CCC(=O)c1cnc2c(OC)cccc2c1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.67
PSMD14 O00487 3/20 0.48
STAMBP O95630 3/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
COPS5 Q92905 2/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL2671823 0.84 HPGDS (0.72) HPGDSPSMD14STAMBPHPGDMEN1
SCHEMBL4721861 0.84 HPGDS (0.64) HPGDSPSMD14NPC1MEN1KMT2A
Hydrochloric Acid SCHEMBL6086439 0.83 HPGDS (0.71) HPGDSPSMD14STAMBPHPGDMEN1
SCHEMBL2200731 0.83 HPGDS (0.75) HPGDSPSMD14STAMBPHPGDMEN1
SCHEMBL8614022 0.83 HPGDS (0.71) HPGDSPSMD14STAMBPMEN1KMT2A
SCHEMBL18987846 0.82 HPGDS (0.62) HPGDSPSMD14STAMBPHPGDMEN1
SCHEMBL4145910 0.81 HPGDS (0.67) HPGDSPSMD14STAMBPMEN1KMT2A
SCHEMBL27976330 0.81 KMT2A (0.52) HPGDSNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL9360729 0.80 MEN1 (0.49) HPGDSNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL19020755 0.77 HPGDS (0.56) HPGDSPSMD14HPGDSMN1; SMN2MEN1

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-2012056372-A1 N1/N2-LACTAM ACETYL-CoA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2012-05-03 WO disclosed