SCHEMBL3680562

SCHEMBL3680562

c1ccc(CC2C3CC4CC(C3)CP2C4)cc1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.39
EPHX2 P34913 6/20 0.39
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
GBA1 P04062 1/20 0.34
CXCR3 P49682 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
SCHEMBL3543497 0.71 HSD11B1 (0.47) HSD11B1EPHX2CHRM2CHRM4CHRM5
SCHEMBL11152235 0.66 HSD11B1 (0.40) HSD11B1EPHX2CHRM2CHRM4CHRM5
SCHEMBL16241618 0.63 HPGD (0.46) HSD11B1GBA1
SCHEMBL15659952 0.60 CHRM2 (0.43) HSD11B1EPHX2CHRM2CHRM4CHRM5
SCHEMBL9115414 0.60 HSD11B1 (0.42) HSD11B1GBA1
SCHEMBL4357593 0.60 CALM1 (0.45) GBA1
SCHEMBL19798405 0.59 EPHX2 (0.50) HSD11B1EPHX2CHRM2CHRM4CHRM5
SCHEMBL13397148 0.59 SMN1; SMN2 (0.67) HSD11B1EPHX2CXCR3
SCHEMBL21327803 0.59 CHRM2 (0.42) HSD11B1EPHX2CHRM2CHRM4CHRM5
SCHEMBL726031 0.59 CHRM2 (0.42) HSD11B1EPHX2CHRM2CHRM4CHRM5

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-2167232-A1 A PROCESS FOR THE CARBONYLATION OF AN ETHYLENICALLY UNSATURATED COMPOUND AND A CATALYST SYSTEM Lucite International UK Limited (GB) 2010-03-31 EP disclosed
WO-2009010782-A1 A PROCESS FOR THE CARBONYLATION OF AN ETHYLENICALLY UNSATURATED COMPOUND AND A CATALYST SYSTEM LUCITE INTERNATIONAL UK LIMITED (GB) 2009-01-22 WO disclosed