SCHEMBL9844963

SCHEMBL9844963

C#CCCCOc1ccc(C(=O)N(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 4/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ HPGD P15428 1/20 0.53
▸ TBXAS1 P24557 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ GPR119 Q8TDV5 8/20 0.47
▸ AOC3 Q16853 1/20 0.47
▸ GAA P10253 1/20 0.46
▸ DRD2 P14416 1/20 0.45

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
SCHEMBL10932269 0.82 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2HPGDTBXAS1L3MBTL1
SCHEMBL24000908 0.81 PKM (0.61) ALDH1A1L3MBTL1
SCHEMBL10460818 0.81 ALDH1A1 (0.59) MAOBALDH1A1SMN1; SMN2HPGDTBXAS1
SCHEMBL31747364 0.80 PARP10 (0.60) MAOBALDH1A1TBXAS1L3MBTL1
SCHEMBL7637707 0.80 TP53 (0.66) ALDH1A1SMN1; SMN2HPGDL3MBTL1
SCHEMBL578734 0.79 ALDH1A1 (0.61) MAOBALDH1A1SMN1; SMN2HPGDTBXAS1
SCHEMBL10754241 0.78 ALDH1A1 (0.59) MAOBALDH1A1SMN1; SMN2HPGDTBXAS1
Hydrochloric Acid SCHEMBL12503056 0.76 ALDH1A1 (0.58) MAOBALDH1A1SMN1; SMN2HPGDTBXAS1
SCHEMBL21439587 0.76 PPARA (0.47) MAOBSMN1; SMN2L3MBTL1GAA
SCHEMBL9388919 0.75 ALDH1A1 (0.66) MAOBALDH1A1SMN1; SMN2HPGDAOC3

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-0413289-A2 Oxadiazolyl-phenoxyalkylisoxazoles and their use as antiviral agents STERLING WINTHROP INC. (US) 1991-02-20 — — EP disclosed
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