SCHEMBL8558240

SCHEMBL8558240

CCC(Oc1ccc2c(c1N)C(=O)CC2)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
PPARA Q07869 6/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.35
PPARG P37231 4/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
PPARD Q03181 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ABCB1 P08183 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
LTB4R Q15722 1/20 0.30

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
SCHEMBL8558154 0.81 SMN1; SMN2 (0.39) SMN1; SMN2PPARAPTGDR2PPARGKDM4E
SCHEMBL8558148 0.81 SMN1; SMN2 (0.39) SMN1; SMN2PPARAPTGDR2PPARGKDM4E
SCHEMBL4684709 0.74 PTGDR2 (0.40) SMN1; SMN2PTGDR2KDM4EALDH1A1GLA
SCHEMBL18936571 0.70 SMN1; SMN2 (0.44) SMN1; SMN2PPARAPTGDR2PPARGPPARD
SCHEMBL7962725 0.69 SMN1; SMN2 (0.58) SMN1; SMN2PPARAPPARGMEN1KMT2A
SCHEMBL7974243 0.69 SMN1; SMN2 (0.48) SMN1; SMN2PPARAPTGDR2PPARGKDM4E
SCHEMBL7972678 0.68 ALDH1A1 (0.45) SMN1; SMN2PPARAPPARGKDM4EALDH1A1
SCHEMBL10788257 0.68 SMN1; SMN2 (0.49) SMN1; SMN2PPARAPTGDR2PPARGKDM4E
SCHEMBL8326074 0.66 GAA (0.50) SMN1; SMN2PPARAKDM4EALDH1A1GAA
SCHEMBL7976511 0.65 SMN1; SMN2 (0.49) SMN1; SMN2PPARAPTGDR2PPARGMEN1

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
EP-0885210-A1 Tricylic compounds having binding affinity for melatonin receptors, their production and use Takeda Chemical Industries, Ltd. (JP) 1998-12-23 EP disclosed
WO-1997032871-A1 TRICYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-09-12 WO disclosed