SCHEMBL9568044

SCHEMBL9568044

O=C(NN(c1ccccc1)c1ccccc1)C1CCCc2[c]cccc21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 2/20 0.40
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP2D6 P10635 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
SRD5A2 P31213 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
RECQL P46063 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL9568056 0.86 PTGIR (0.40) PTGIRLMNAGAAALDH1A1KDM4E
SCHEMBL9568040 0.74 MCL1 (0.35) HTT
SCHEMBL9048927 0.74 PTGIR (0.43) PTGIRLMNAGAAALDH1A1KDM4E
SCHEMBL9568031 0.73 MEN1 (0.44) LMNAGAAALDH1A1KDM4EHTT
SCHEMBL9046416 0.73 PTGIR (0.70) PTGIR
SCHEMBL9048933 0.71 PTGIR (0.52) PTGIR
SCHEMBL10685924 0.68 HTT (0.65) LMNAALDH1A1KDM4ECYP2D6L3MBTL1
SCHEMBL9567959 0.67 HTT (0.46) PTGIRLMNAALDH1A1KDM4EHTT
SCHEMBL1403578 0.66 UGT2B17 (0.36) KMT2A
SCHEMBL9568046 0.65 SMN1; SMN2 (0.32) CYP2D6HTTCYP1A2

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 1 patent. 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