SCHEMBL8301326

SCHEMBL8301326

CCc1ccc(-c2c(S(C)(=O)=O)ccc(C(=O)c3c(CC)n[nH]c3O)c2C)cc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.35
ALPL P05186 1/20 0.35
CA9 Q16790 1/20 0.35
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GHSR Q92847 2/20 0.31
ALDH1A1 P00352 1/20 0.30
EGFR P00533 1/20 0.30
NOTUM Q6P988 1/20 0.30

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
SCHEMBL8302118 0.93 DPP4 (0.35) ALPLALDH1A1
SCHEMBL8301544 0.92 GHSR (0.34) GHSR
SCHEMBL8301349 0.91 MEN1 (0.34) ALPLRAB9ASMN1; SMN2ALDH1A1EGFR
SCHEMBL8300662 0.90 MAPT (0.38) ALPLCA9RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8300843 0.89 GSK3B (0.34) NOTUM
SCHEMBL8306931 0.88 HEXA (0.34) ALDH1A1
SCHEMBL8303758 0.85 HEXA (0.35) NOTUM
SCHEMBL8305579 0.85 MAPT (0.33) CA12CA9RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8300550 0.82 MAPT (0.37) SMN1; SMN2ALDH1A1
SCHEMBL7807452 0.82 PIK3CA (0.32)

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