SCHEMBL8965138

SCHEMBL8965138

CC(=O)Oc1cccc(C=CCn2cc(C(c3ccccc3)c3cccnc3)cn2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
CYP1A1 P04798 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP1B1 Q16678 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CFTR P13569 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
GOPC Q9HD26 1/20 0.38
PPARG P37231 4/20 0.37
ALOX5 P09917 1/20 0.36
ALOX5AP P20292 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
PPARA Q07869 3/20 0.36

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
SCHEMBL8965136 0.88 PPARG (0.46) SMN1; SMN2ALDH1A1LMNATHRBCYP1A1
SCHEMBL9262923 0.88 PPARG (0.46) SMN1; SMN2ALDH1A1LMNATHRBCYP1A1
SCHEMBL9259418 0.82 GRM8 (0.38) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL8354898 0.81 PTGDR2 (0.45) CYP1A2PPARGALOX5ALOX5APPTGS1
SCHEMBL8965101 0.80 PPARG (0.50) LMNAPPARGPPARAHDAC3HDAC1
SCHEMBL8965096 0.80 PPARG (0.50) LMNAPPARGPPARAHDAC3HDAC1
SCHEMBL8356510 0.76 HDAC3 (0.36) ALDH1A1PPARGALOX5ALOX5APPTGS1
SCHEMBL8808705 0.73 PTGIR (0.51) SMN1; SMN2LMNACFTRSLC6A2SLC6A4
SCHEMBL8358853 0.72 PPARG (0.44) ALDH1A1LMNAPPARGPPARAHDAC3
SCHEMBL8965754 0.72 PPARG (0.44) ALDH1A1LMNAPPARGPPARAHDAC3

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
US-5536736-A CARDIOVASCULAR DISORDERS ONO PHARMACEUTICAL CO., LTD. (JP) 1996-07-16 US disclosed
EP-0558062-A2 Phenoxyacetic acid derivatives and pharmaceutical compositions containing them ONO PHARMACEUTICAL CO., LTD. (JP) 1993-09-01 EP disclosed