SCHEMBL8889487

SCHEMBL8889487

O=C1CCCC(O)=C1C(=O)c1ccc(Cl)cc1S(=O)(=O)N1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
TSHR P16473 5/20 0.52
ALOX15 P16050 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
POLB P06746 3/20 0.47
KDM4E B2RXH2 3/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
HTT P42858 2/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
LMNA P02545 2/20 0.42
USP2 O75604 1/20 0.41
CNR1 P21554 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 1/20 0.40

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
SCHEMBL8634935 0.81 ALDH1A1 (0.37) ALDH1A1L3MBTL1KDM4ERAB9AKMT2A
SCHEMBL8671317 0.78 ALDH1A1 (0.67) ALDH1A1TSHRALOX15L3MBTL1POLB
SCHEMBL8628790 0.77 ALDH1A1 (0.41) ALDH1A1TSHRL3MBTL1POLBKDM4E
SCHEMBL5321593 0.73 ALDH1A1 (0.73) ALDH1A1TSHRALOX15L3MBTL1POLB
SCHEMBL8889284 0.72 ALDH1A1 (0.51) ALDH1A1TSHRALOX15L3MBTL1POLB
SCHEMBL6866312 0.72 MAPT (0.44) ALDH1A1RAB9AKMT2AMEN1LMNA
SCHEMBL197131 0.71 ALDH1A1 (1.00) ALDH1A1TSHRALOX15L3MBTL1POLB
SCHEMBL30230494 0.70 SMN1; SMN2 (0.40) ALDH1A1L3MBTL1POLBKDM4EHPGD
SCHEMBL6422908 0.70 TSHR (1.00) ALDH1A1TSHRALOX15L3MBTL1POLB
SCHEMBL493523 0.68 ALDH1A1 (0.74) ALDH1A1TSHRALOX15L3MBTL1POLB

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
WO-1997003045-A1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-01-30 WO disclosed