SCHEMBL6607062

SCHEMBL6607062

CC(C)Sc1noc(C2CC2)c1C(=O)c1ccc(Cl)cc1S(C)(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.34
CNR2 P34972 1/20 0.33
F10 P00742 1/20 0.33
GLP1R P43220 1/20 0.32
GAA P10253 1/20 0.31
CHRM2 P08172 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RORC P51449 1/20 0.31
STAT3 P40763 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL6596749 0.89 GPBAR1 (0.36) GPBAR1CNR2F10ALDH1A1STAT3
SCHEMBL6607069 0.85 GPBAR1 (0.33) GPBAR1F10
SCHEMBL8762913 0.82 SMURF2 (0.38) GPBAR1CNR2F10STAT3NPC1
SCHEMBL28600495 0.81 GPBAR1 (0.44) GPBAR1F10
SCHEMBL9116239 0.81 NR1H4 (0.35) GPBAR1CNR2F10ALDH1A1STAT3
SCHEMBL8493346 0.79 NR1H4 (0.38) GPBAR1CNR2F10ALDH1A1STAT3
SCHEMBL8488379 0.77 HTT (0.38) GLP1RGAAALDH1A1NPC1
SCHEMBL123795 0.76 F10 (0.39) CNR2F10STAT3NPC1RAB9A
SCHEMBL4894785 0.76 F10 (0.39) CNR2F10STAT3NPC1RAB9A
SCHEMBL6054858 0.74 CACNA1B (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0901479-B1 ISOXAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2004-02-11 EP claimed