SCHEMBL9568017

SCHEMBL9568017

O=C(c1ccccc1)c1ccccc1NC(=O)C1CCCc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 1/20 0.53
NPSR1 Q6W5P4 2/20 0.49
HTT P42858 2/20 0.48
CRBN Q96SW2 1/20 0.46
ALDH1A1 P00352 6/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TAS1R3 Q7RTX0 2/20 0.43
TAS1R1 Q7RTX1 2/20 0.43
ANO1 Q5XXA6 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
PDE5A O76074 1/20 0.41

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
SCHEMBL9050555 0.83 NPSR1 (0.47) KCNQ2NPSR1ALDH1A1MEN1KMT2A
SCHEMBL9567996 0.80 ALDH1A1 (0.51) NPSR1HTTALDH1A1MEN1KMT2A
SCHEMBL9269083 0.79 KMT2A (0.62) KCNQ2HTTCRBNMEN1KMT2A
SCHEMBL9567987 0.78 ALDH1A1 (0.49) NPSR1HTTALDH1A1MEN1KMT2A
SCHEMBL9050562 0.78 NPSR1 (0.43) NPSR1ALDH1A1TAS1R3TAS1R1PDE5A
SCHEMBL9048548 0.78 PTGIR (0.51) NPSR1ALDH1A1KDM4EPDE5A
SCHEMBL3412231 0.76 PRMT5 (0.52) KCNQ2HTTCRBNALDH1A1MEN1
SCHEMBL10467510 0.76 PRMT5 (0.52) KCNQ2HTTCRBNALDH1A1MEN1
SCHEMBL31613076 0.76 PRMT5 (0.52) KCNQ2HTTCRBNALDH1A1MEN1
SCHEMBL10656464 0.73 HTT (0.51) HTTCRBNALDH1A1MEN1KMT2A

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