SCHEMBL13508360

SCHEMBL13508360

CCOC(=O)COc1ccc(S[C@H](C)CNS(=O)(=O)c2ccccc2)cc1C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
KMT2A Q03164 2/20 0.48
PKM P14618 2/20 0.48
ALDH1A1 P00352 5/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 2/20 0.42
MEN1 O00255 1/20 0.42
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 4/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ESR1 P03372 1/20 0.39
PPARD Q03181 1/20 0.39

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
SCHEMBL13508357 0.80 ESR1 (0.39) LMNAALDH1A1POLBKDM4EMAPT
SCHEMBL13508364 0.79 PPARD (0.56) PPARD
SCHEMBL3685122 0.79 PPARD (0.56) PPARD
SCHEMBL13508359 0.78 ESR1 (0.47) KMT2AALDH1A1POLBMAPK1HTT
SCHEMBL3685186 0.78 ESR1 (0.47) KMT2AALDH1A1POLBMAPK1HTT
SCHEMBL13508352 0.78 PPARD (0.45) ALDH1A1POLBSMN1; SMN2TSHRESR1
SCHEMBL3686617 0.78 PPARD (0.45) ALDH1A1POLBSMN1; SMN2TSHRESR1
SCHEMBL13508358 0.77 ESR1 (0.43) ALDH1A1MAPK1ESR1PPARD
SCHEMBL3686106 0.77 ESR1 (0.43) ALDH1A1MAPK1ESR1PPARD
SCHEMBL7920720 0.74 ALDH1A1 (0.59) LMNAKMT2AALDH1A1SMN1; SMN2HTT

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
US-7655641-B2 Sulfonamide derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2010-02-02 US disclosed