SCHEMBL7947385

SCHEMBL7947385

CCOc1ccc(-c2c(S(C)(=O)=O)ccc(C(=O)c3cnn(C(C)(C)C)c3O)c2C)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RAB9A P51151 1/20 0.35
SRC P12931 1/20 0.34
HPGD P15428 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
ALOX15 P16050 1/20 0.33
RECQL P46063 1/20 0.33
HSD17B10 Q99714 1/20 0.33
XBP1 P17861 1/20 0.33
PKM P14618 2/20 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
SCHEMBL7949538 0.91 FYN (0.32)
SCHEMBL5000921 0.89 MAPK1 (0.35) PTGS2ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL7948205 0.88 MELK (0.33)
SCHEMBL7949475 0.87 MELK (0.34) PTGS2ALDH1A1KDM4E
SCHEMBL7948308 0.86 PTGS2 (0.32) PTGS2ALDH1A1
SCHEMBL7946227 0.82 PDE4B (0.36) PTGS2ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL7951450 0.80 GAA (0.34) PTGS2ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL7947430 0.79
SCHEMBL7939850 0.79 RIPK2 (0.40) PTGS2ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL7939695 0.78 MAPK1 (0.37) PTGS2ALDH1A1KDM4EMAPTSMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6010981-A 1-alkyl-4-benzoyl-5-hydroxypyrazole compounds and their use as herbicides DOW AGROSCIENCES LLC (US) 2000-01-04 US claimed
US-6265606-B1 TO CONTROL A BROAD SPECTRUM OF UNDESIRABLE VEGETATION, ARE SELECTIVE TO MAJOR CROPS, HAVE DESIRABLE ENVIRONMENTAL PROFILES, DOW AGROSCIENCES LLC 2001-07-24 US disclosed
US-6010981-A 1-alkyl-4-benzoyl-5-hydroxypyrazole compounds and their use as herbicides DOW AGROSCIENCES LLC (US) 2000-01-04 US disclosed