SCHEMBL10834009

SCHEMBL10834009

C#CC(Oc1ccc(Oc2ccccc2)cc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.44
TSHR P16473 1/20 0.44
NR1H2 P55055 1/20 0.41
BAX Q07812 1/20 0.41
MAOA P21397 1/20 0.41
PTGS1 P23219 1/20 0.40
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
SRD5A2 P31213 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MEN1 O00255 1/20 0.36
CYP2D6 P10635 1/20 0.36
KMT2A Q03164 1/20 0.36
GSTP1 P09211 1/20 0.35

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
SCHEMBL28307068 0.92 SLC6A4 (0.38) LTA4HTSHRPTGS1SRD5A2
SCHEMBL11079404 0.84 NPSR1 (0.40) TSHRPPARGPPARAMEN1KMT2A
SCHEMBL8507010 0.80 NPC1 (0.38) PTGS1MEN1KMT2A
SCHEMBL11086531 0.76 SLC6A4 (0.43) MEN1CYP2D6KMT2A
SCHEMBL10835046 0.76 LTA4H (0.47) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL11485674 0.74 ACACB (0.47) LTA4HPTGS1SRD5A2MEN1CYP2D6
SCHEMBL77245 0.73 DPP4 (0.36) TSHRCYP2D6
SCHEMBL9050239 0.73 PTGS1 (0.54) LTA4HTSHRPTGS1MEN1CYP2D6
SCHEMBL11147918 0.73 PTGS1 (0.54) LTA4HTSHRNR1H2BAXPTGS1
SCHEMBL28489801 0.72 SLC6A4 (0.38) LTA4HTSHRSRD5A2

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
US-4607035-A MITICIDES MONTEDISON S.P.A. (IT) 1986-08-19 US claimed