SCHEMBL2772042

SCHEMBL2772042

Cc1oc2cc(OS(=O)(=O)C(F)(F)F)ccc2c1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.50
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 2/20 0.46
LMNA P02545 1/20 0.46
SLC26A4 O43511 7/20 0.44
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
KDM4E B2RXH2 2/20 0.43
BLM P54132 1/20 0.43
ATM Q13315 1/20 0.43
HPGD P15428 1/20 0.43
STS P08842 2/20 0.42
GAA P10253 1/20 0.42
MAOB P27338 1/20 0.41
CA2 P00918 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL2083018 0.89 SMN1; SMN2 (0.49) HSD11B1ALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL4965650 0.80 KDM4E (0.64) ALDH1A1SMN1; SMN2SLC26A4KDM4EHPGD
SCHEMBL28500191 0.78 HSD11B1 (0.61) HSD11B1ALDH1A1KDM4EHPGDSTS
SCHEMBL1697068 0.77 HSD11B1 (0.45) HSD11B1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL10847170 0.77 HPGD (0.72) HSD11B1HPGDSTSMAOB
SCHEMBL16655989 0.77 SLC26A4 (0.55) ALDH1A1SMN1; SMN2HTTLMNASLC26A4
SCHEMBL31604843 0.77 PTGS2 (0.66) ALDH1A1SMN1; SMN2HTTLMNAKDM4E
SCHEMBL13155387 0.77 HSD11B1 (0.48) HSD11B1ALDH1A1KDM4EHPGDPOLB
SCHEMBL30301334 0.76 HSD11B1 (0.51) HSD11B1ALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL1938706 0.76 HSD11B1 (0.51) HSD11B1ALDH1A1SMN1; SMN2LMNAKMT2A

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-2029547-B1 FXR AGONISTS LILLY CO ELI (US) 2010-04-28 EP disclosed