SCHEMBL21985343

SCHEMBL21985343

CC#Cc1ccc(C2C(=O)CCC(CC)C2=O)c(OC)c1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
NR3C2 P08235 3/20 0.32
NR3C1 P04150 2/20 0.32
PGR P06401 2/20 0.32
AR P10275 2/20 0.32
CYP11B2 P19099 3/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA4 P22748 2/20 0.32
CA6 P23280 2/20 0.32
MTNR1A P48039 2/20 0.32
MTNR1B P49286 2/20 0.32
POLL Q9UGP5 1/20 0.32
FFAR1 O14842 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL21985266 0.91 ALDH1A1 (0.32) PPARDPPARANR3C2NR3C1PGR
SCHEMBL21985356 0.88 HCRTR1 (0.33)
SCHEMBL21985650 0.87
SCHEMBL21985639 0.87 CNR2 (0.33)
SCHEMBL21985648 0.86 HTR2A (0.33) CA1CA2CA4CA6HTR2A
SCHEMBL21985183 0.82 CA1 (0.39) CA1CA2CA4CA6HTR2A
SCHEMBL20060289 0.82 HTR2A (0.38) CA1CA2CA4CA6HTR2A
SCHEMBL21985039 0.81 PPARD (0.30) PPARDPPARA
SCHEMBL20060263 0.81 CA1 (0.31) CA1CA2CA4CA6HTR2A
SCHEMBL19051676 0.80 CYP11B2 (0.36) NR3C2NR3C1PGRARCYP11B2

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
EP-3160950-B1 HERBICIDAL PROPYNYL-PHENYL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2020-05-13 EP disclosed