SCHEMBL9050656

SCHEMBL9050656

NC(=O)C(CC1CCCc2c(C(=O)C(=O)O)cccc21)C(c1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
PTGIR P43119 4/20 0.34
EPHX1 P07099 2/20 0.34
HTR2A P28223 1/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
OPRK1 P41145 1/20 0.32

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
SCHEMBL9568022 0.84 ALDH1A1 (0.52) KDM4EALDH1A1MEN1KMT2AEPHX1
SCHEMBL9050659 0.83 PTGIR (0.40) KDM4EALDH1A1MEN1KMT2APTGIR
SCHEMBL9046447 0.83 KDM4C (0.39) PTGIR
SCHEMBL9048510 0.79 PTGIR (0.36) PTGIREPHX1
SCHEMBL9048581 0.76 PTGIR (0.39) PTGIRCYP3A4CYP2D6CYP2C19
SCHEMBL9049782 0.75 PTGIR (0.38) KMT2APTGIRCYP3A4CYP2D6CYP2C19
SCHEMBL9050611 0.71 KMT2A (0.44) KDM4EALDH1A1MEN1KMT2APTGIR
SCHEMBL9046594 0.70 PTGIR (0.36) PTGIRNPSR1
SCHEMBL9048344 0.70 PTGIR (0.45) ALDH1A1MEN1KMT2APTGIRNPSR1
SCHEMBL9048207 0.69 PTGIR (0.46) KDM4EALDH1A1MEN1KMT2APTGIR

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-B1 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO (JP) 1996-07-03 EP claimed
US-5344836-A Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1994-09-06 US claimed