SCHEMBL7759290

SCHEMBL7759290

Brc1ccc(-c2ccc3c(c2)OCO3)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
MAOB P27338 1/20 0.54
KIF11 P52732 1/20 0.51
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
CASP3 P42574 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
PTPRC P08575 1/20 0.49
MAPT P10636 3/20 0.47
POLB P06746 3/20 0.47
KDM4E B2RXH2 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SRC P12931 1/20 0.47

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
SCHEMBL2692579 0.83 CA12 (0.59) CA12CA2CA9KIF11MEN1
SCHEMBL29459415 0.82 LMNA (0.65) MAOBMEN1KMT2ANPC1RAB9A
SCHEMBL22162812 0.82 CA12 (0.58) CA12CA2CA9KIF11MEN1
SCHEMBL154708 0.82 LMNA (0.65) MAOBMEN1KMT2ANPC1RAB9A
SCHEMBL404584 0.81 PTGS2 (0.66) CA12CA2CA9KIF11MEN1
SCHEMBL30009937 0.81 PTGS2 (0.66) CA12CA2CA9KIF11MEN1
SCHEMBL1136696 0.80 MAPT (0.63) MAOBMEN1KMT2ANPC1RAB9A
SCHEMBL30304403 0.80 MAPT (0.63) MAOBMEN1KMT2ANPC1RAB9A
SCHEMBL14451001 0.79 CA12 (0.56) CA12CA2CA9KIF11MEN1
SCHEMBL3901839 0.79 CA12 (0.61) CA12CA2CA9KIF11MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0674635-B1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS SYNGENTA LTD (GB) 2001-03-28 EP disclosed
EP-0674635-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LIMITED (GB) 1995-10-04 EP disclosed
WO-1994014803-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LIMITED (GB) 1994-07-07 WO disclosed