SCHEMBL22891788

SCHEMBL22891788

Cc1ccc(C(F)(F)F)cc1N[S+]([O-])c1cccc(C(=O)OCOC(=O)OC2CCCCC2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.36
NOTCH1 P46531 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.35
GAA P10253 3/20 0.35
MAPT P10636 2/20 0.35
ATM Q13315 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM3 P20309 1/20 0.34
CCR2 P41597 2/20 0.34
PTGER1 P34995 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
C5AR1 P21730 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALOX15 P16050 1/20 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
SCHEMBL22891783 0.82 TAS2R14 (0.40) TAS2R14GAANPSR1MEN1KMT2A
SCHEMBL22891787 0.82 NPSR1 (0.49) GAANPSR1KMT2AALDH1A1HPGD
SCHEMBL29670020 0.69 ERAP1 (0.46) GAAMAPTNPSR1KMT2AKDM4E
SCHEMBL9299353 0.64 HPGD (0.60) GAAMAPTTAS1R3TAS1R1TAS1R2
SCHEMBL6566141 0.63 ALDH1A1 (0.53) MAPTATMKMT2AALOX15ALDH1A1
SCHEMBL22891786 0.63 NPSR1 (0.49) GAATSHRNPSR1MEN1KMT2A
SCHEMBL29669997 0.63 NPSR1 (0.49) GAATSHRNPSR1MEN1KMT2A
SCHEMBL25805521 0.61 DDR2 (0.58) TAS2R14GAA
SCHEMBL18615685 0.60 EPHX2 (0.62) GAAMAPTTSHRMEN1KMT2A
SCHEMBL8414315 0.60 MMP9 (0.47) MAPTNPSR1KMT2AALDH1A1

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
WO-2021007474-A1 PHENYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS CURA THERAPEUTICS, LLC (US) 2021-01-14 WO disclosed