SCHEMBL8305579

SCHEMBL8305579

C=CCOc1ccc(-c2c(S(C)(=O)=O)ccc(C(=O)c3c(CC)n[nH]c3O)c2C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
CHRNB2 P17787 2/20 0.32
CHRNB4 P30926 2/20 0.32
CHRNA3 P32297 2/20 0.32
CHRNA4 P43681 2/20 0.32
MGAM O43451 3/20 0.32
GAA P10253 3/20 0.32
SI P14410 3/20 0.32
MGAM2 Q2M2H8 3/20 0.32
NPC1 O15118 2/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL8300662 0.87 MAPT (0.38) MAPTKDM4EALDH1A1MAPK1GAA
SCHEMBL8302118 0.86 DPP4 (0.35) ALDH1A1POLB
SCHEMBL8301544 0.85 GHSR (0.34)
SCHEMBL8301326 0.85 CA12 (0.35) ALDH1A1CA12CA9RAB9ASMN1; SMN2
SCHEMBL8301349 0.84 MEN1 (0.34) MAPTKDM4EALDH1A1MAPK1GAA
SCHEMBL8300843 0.84 GSK3B (0.34) POLB
SCHEMBL8306931 0.82 HEXA (0.34) MAPTKDM4EALDH1A1POLB
SCHEMBL8300550 0.80 MAPT (0.37) MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL8303758 0.79 HEXA (0.35) POLBADORA3ADORA1
SCHEMBL7951460 0.76 KAT6A (0.33) MAPTKDM4ECHRNB2CHRNB4CHRNA3

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