SCHEMBL9167963

SCHEMBL9167963

[C-]#[N+]CCOc1ccc(Oc2ccccc2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 17/20 0.44
PPARD Q03181 9/20 0.44
PPARG P37231 8/20 0.44
LTA4H P09960 2/20 0.38
PLA2G2A P14555 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL8959117 0.81 LTA4H (0.62) PPARAPPARDPPARGLTA4HPLA2G2A
SCHEMBL8653853 0.81 ALDH1A1 (0.50) PPARAPPARDPPARGLTA4H
SCHEMBL7249003 0.79 PPARA (0.51) PPARAPPARDPPARGLTA4H
SCHEMBL7079111 0.79 PPARA (0.48) PPARAPPARDPPARGLTA4HDRD2
SCHEMBL11196187 0.76 CYP1A2 (0.52) LTA4H
SCHEMBL3783924 0.76 CYP1A2 (0.52) LTA4H
SCHEMBL8841070 0.75 PPARA (0.52) PPARAPPARDPPARG
SCHEMBL9165238 0.74 MEN1 (0.52) PPARAPPARDPPARG
SCHEMBL9158327 0.71 PPARA (0.49) PPARAPPARDPPARGLTA4HPLA2G2A
SCHEMBL8865546 0.70 CYP1A2 (0.47) PPARAPPARDPPARG

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-0460472-B1 Carbamic acid derivatives, their production and use SUMITOMO CHEMICAL CO (JP) 1995-03-08 EP disclosed
US-5346920-A Insecticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-09-13 US disclosed
EP-0460472-A1 Carbamic acid derivatives, their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-12-11 EP disclosed