SCHEMBL9568035

SCHEMBL9568035

CNC(=O)C(c1ccccc1)(c1ccccc1)C1CCCc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.45
MAPK1 P28482 1/20 0.44
MAPK14 Q16539 1/20 0.44
RAB9A P51151 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.43
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAS1R2 Q8TE23 1/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EPHX1 P07099 1/20 0.40
GAA P10253 1/20 0.40
XBP1 P17861 1/20 0.40
CNR1 P21554 1/20 0.39

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
SCHEMBL9567994 0.92 PDPK1 (0.43) HTTMAPK1MAPK14RAB9AMEN1
SCHEMBL9567983 0.86 MAPK1 (0.44) HTTMAPK1MAPK14RAB9AMEN1
SCHEMBL9567991 0.78 PIN1 (0.40) MAPK1MAPK14MEN1KMT2ATAS1R3
SCHEMBL9048717 0.77 PTGIR (0.50) LMNAALDH1A1SMN1; SMN2
SCHEMBL9515277 0.74 IDO1 (0.44) HTTMAPK1MAPK14RAB9AMEN1
SCHEMBL9568069 0.73 MTNR1A (0.44)
SCHEMBL3394130 0.72 PDPK1 (0.44) HTTMAPK1MAPK14RAB9AMEN1
SCHEMBL14815564 0.70 IDO1 (0.46) HTTMAPK1MAPK14RAB9ALMNA
SCHEMBL13569354 0.70 HTT (0.64) HTTMEN1KMT2ALMNATAS1R3
SCHEMBL20706323 0.70 IDO1 (0.49) HTTMAPK1MAPK14LMNATAS1R3

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-0542203-A2 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO., LTD. (JP) 1993-05-19 EP claimed
EP-0542203-A2 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO., LTD. (JP) 1993-05-19 EP disclosed