SCHEMBL9567959

SCHEMBL9567959

C=C(C(=O)NN(c1ccccc1)c1ccccc1)C1CCCc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
RAB9A P51151 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
PTGIR P43119 1/20 0.41
TAS1R3 Q7RTX0 4/20 0.40
TAS1R1 Q7RTX1 4/20 0.40
TAS1R2 Q8TE23 3/20 0.40
LMNA P02545 1/20 0.40
CRBN Q96SW2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
PIN1 Q13526 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
SCHEMBL9568056 0.82 PTGIR (0.40) HTTALDH1A1KDM4EPTGIRLMNA
SCHEMBL9047848 0.81 PTGIR (0.43) ALDH1A1KDM4EKMT2AMEN1PTGIR
SCHEMBL5321084 0.76 HTT (0.48) HTTALDH1A1KMT2ATAS1R3TAS1R1
SCHEMBL29484110 0.73 HTT (0.54) HTTALDH1A1RAB9AKMT2AMEN1
SCHEMBL8858455 0.73 PTGIR (0.61) PTGIR
SCHEMBL29706163 0.73 HTT (0.54) HTTALDH1A1RAB9AKMT2AMEN1
SCHEMBL242244 0.73 HTT (0.54) HTTALDH1A1RAB9AKMT2AMEN1
SCHEMBL2792830 0.73 HTT (0.54) HTTALDH1A1RAB9AKMT2AMEN1
SCHEMBL29608780 0.73 HTT (0.54) HTTALDH1A1RAB9AKMT2AMEN1
SCHEMBL2796237 0.73 HTT (0.54) HTTALDH1A1RAB9AKMT2AMEN1

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 disclosed