SCHEMBL33124

SCHEMBL33124

C=C(C)c1ccc2c(c1)CCC2O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.42
PDE4D Q08499 1/20 0.40
GFRA3 O60609 1/20 0.38
RET P07949 1/20 0.38
KARS1 Q15046 2/20 0.38
PYGL P06737 1/20 0.33
POLL Q9UGP5 1/20 0.33
TBXA2R P21731 2/20 0.32
PTGER4 P35408 1/20 0.32
PTGER2 P43116 1/20 0.32
HTT P42858 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL32779 0.83 NPC1 (0.49) PGRGFRA3RETPYGLPOLB
SCHEMBL29726906 0.77 ALDH1A1 (0.50) GFRA3RETTBXA2RPTGER2POLB
SCHEMBL16499816 0.76 CHRNB2 (0.48) TBXA2RPTGER4HTTCA12CA1
SCHEMBL31511361 0.76 CHRNB2 (0.48) TBXA2RPTGER4HTTCA12CA1
SCHEMBL33097 0.74 PPARD (0.35) PGRPDE4DTBXA2RPTGER4ESR1
SCHEMBL1745471 0.74 SRD5A1 (0.46) PGRGFRA3RETPYGL
SCHEMBL15970863 0.73 GFRA3 (0.39) PGRGFRA3RETPYGLTBXA2R
SCHEMBL15970865 0.73 PGR (0.37) PGRGFRA3RETPYGLTBXA2R
SCHEMBL14514502 0.73 PGR (0.37) PGRGFRA3RETPYGLTBXA2R
SCHEMBL7442811 0.72 ESR2 (0.54) PGRRECQLESR1ESR2MAPT

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-2012026403-A1 CONDENSED RING COMPOUND 日本曹達株式会社 (JP) 2012-03-01 WO disclosed