SCHEMBL8303044

SCHEMBL8303044

CCc1n[nH]c(O)c1C(=O)c1ccc(S(C)(=O)=O)c(-c2ccc(Cl)cc2)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.33
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33
MAPT P10636 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
HTT P42858 2/20 0.33
ALPL P05186 2/20 0.33
GAA P10253 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
PROKR1 Q8TCW9 2/20 0.32

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
SCHEMBL8304177 0.92 FABP4 (0.38) FABP3FABP4FABP5MAPTCYP1A2
SCHEMBL8301349 0.91 MEN1 (0.34) FABP3FABP4FABP5MAPTMEN1
SCHEMBL7802356 0.86 CYP1A2 (0.34) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL8508216 0.83
SCHEMBL8302118 0.82 DPP4 (0.35) KMT2AALPLALDH1A1HEXAHEXB
SCHEMBL8301544 0.82 GHSR (0.34) PTGS2
SCHEMBL8301326 0.82 CA12 (0.35) ALPLSMN1; SMN2ALDH1A1CA12
SCHEMBL8506103 0.81
SCHEMBL8300662 0.80 MAPT (0.38) MAPTMEN1KMT2AHTTALPL
SCHEMBL8306931 0.79 HEXA (0.34) MAPTMEN1KMT2APTGS2ALDH1A1

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
EP-0914317-A2 1-ALKYL-4-BENZOYL-5-HYDROXYPYRAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES Dow AgroSciences LLC (US) 1999-05-12 EP disclosed
WO-1998052926-A2 1-ALKYL-4-BENZOYL-5-HYDROXYPYRAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 1998-11-26 WO disclosed