SCHEMBL8943532

SCHEMBL8943532

CS(=O)(=O)c1ccc(C(=O)C2=C(Sc3cccc(Cl)c3)C3CCC(C3)C2=O)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.41
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP2C19 P33261 1/20 0.37
PPARG P37231 1/20 0.37
KMT2A Q03164 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CACNA1B Q00975 2/20 0.36
NR1I2 O75469 1/20 0.36
AVPR2 P30518 1/20 0.35
GPR27 Q9NS67 1/20 0.35
GPR6 P46095 1/20 0.35
SMO Q99835 2/20 0.34
MAPT P10636 3/20 0.34
AKR1C3 P42330 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL8943536 1.00 PDE4B (0.41) PDE4BMEN1ALDH1A1CYP2C19PPARG
SCHEMBL24193281 0.92 MEN1 (0.41) MEN1ALDH1A1CYP2C19PPARGKMT2A
SCHEMBL117919 0.92 MEN1 (0.41) MEN1ALDH1A1CYP2C19PPARGKMT2A
SCHEMBL8943161 0.87 ALDH1A1 (0.52) MEN1ALDH1A1CYP2C19PPARGKMT2A
SCHEMBL8943326 0.86 SMO (0.38) MEN1ALDH1A1CYP2C19PPARGKMT2A
3,6 Dichloromethoxybenzoic Acid SCHEMBL17927130 0.82 ALDH1A1 (0.38) MEN1ALDH1A1CYP2C19PPARGKMT2A
SCHEMBL8577544 0.79 MEN1 (0.34) MEN1ALDH1A1CYP2C19PPARGKMT2A
SCHEMBL8577540 0.79 MEN1 (0.34) MEN1ALDH1A1CYP2C19PPARGKMT2A
SCHEMBL8943348 0.78 USP7 (0.37) MEN1ALDH1A1KMT2ACACNA1BNR1I2
SCHEMBL12394926 0.77 RAB9A (0.37) MEN1ALDH1A1CYP2C19PPARGKMT2A

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
US-5525580-A USED TO PREVENT WEEDS IN PADDY FIELDS SDS BIOTECH K.K. (JP) 1996-06-11 US claimed
US-5525580-A USED TO PREVENT WEEDS IN PADDY FIELDS SDS BIOTECH K.K. (JP) 1996-06-11 US disclosed