SCHEMBL9414124

SCHEMBL9414124

CC(C)(SC(=O)N1CCCCC1=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ MITF O75030 1/20 0.49
▸ MAPT P10636 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CYP2B6 P20813 1/20 0.37
▸ CHRM3 P20309 4/20 0.37
▸ PER2 O15055 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ LMNA P02545 2/20 0.35

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
SCHEMBL11221785 0.79 SMN1; SMN2 (0.46) SMN1; SMN2MAPTALDH1A1CYP2B6GAA
SCHEMBL55223 0.78 HPGD (0.46) SMN1; SMN2MAPTALDH1A1CYP2B6CHRM3
SCHEMBL11275087 0.78 HPGD (0.46) SMN1; SMN2MAPTALDH1A1CYP2B6CHRM3
SCHEMBL11278852 0.71 HPGD (0.49) SMN1; SMN2ALDH1A1HSD17B10KDM4EMEN1
SCHEMBL9292283 0.70 SIGMAR1 (0.49) SMN1; SMN2MAPTALDH1A1HSD17B10CHRM3
SCHEMBL6960124 0.69 SMN1; SMN2 (0.63) SMN1; SMN2MITFMAPTALDH1A1KDM4E
SCHEMBL11282002 0.69 ACHE (0.53) SMN1; SMN2ALDH1A1HSD17B10CHRM3MEN1
SCHEMBL151854 0.68 SMN1; SMN2 (0.66) SMN1; SMN2MITFMAPTALDH1A1L3MBTL1
SCHEMBL8380782 0.68 SMN1; SMN2 (0.66) SMN1; SMN2MITFMAPTALDH1A1L3MBTL1
SCHEMBL8380683 0.68 SMN1; SMN2 (0.66) SMN1; SMN2MITFMAPTALDH1A1L3MBTL1

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
JP-6312905-A — — None — — JP disclosed
JP-H06312905-A HERBICIDE COMPOSITION KUMIAI CHEM IND CO LTD 1994-11-08 — — JP disclosed
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