SCHEMBL15062765

SCHEMBL15062765

COc1cc(C)c(S(=O)(=O)N2CCc3ccc(OC(=O)O)cc32)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 3/20 0.42
ACLY P53396 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
AKR1C3 P42330 2/20 0.41
GPR119 Q8TDV5 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NOTUM Q6P988 1/20 0.40
CPT1A P50416 1/20 0.40
CPT1B Q92523 1/20 0.40
KEAP1 Q14145 1/20 0.40
LMNA P02545 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
SCHEMBL15062792 0.94 L3MBTL1 (0.51) MEN1KMT2ATSHRL3MBTL1MAPT
SCHEMBL3082495 0.85 KMT2A (0.50) MEN1KMT2AL3MBTL1MAPTAKR1C3
SCHEMBL3084581 0.83 CPT1A (0.51) MEN1KMT2ATSHRL3MBTL1MAPT
SCHEMBL3088413 0.82 MEN1 (0.49) MEN1KMT2ATSHRL3MBTL1MAPT
SCHEMBL15062809 0.82 AKR1C3 (0.58) MEN1KMT2AL3MBTL1PDE4BPDE4D
SCHEMBL3082454 0.81 MEN1 (0.50) MEN1KMT2ATSHRL3MBTL1MAPT
SCHEMBL3089841 0.80 KMT2A (0.55) MEN1KMT2ATSHRL3MBTL1MAPT
SCHEMBL13261231 0.80 MEN1 (0.51) MEN1KMT2ATSHRL3MBTL1MAPT
SCHEMBL15062737 0.79 AKR1C3 (0.46) L3MBTL1AKR1C3SMN1; SMN2
SCHEMBL13180947 0.79 MEN1 (0.50) MEN1KMT2ATSHRL3MBTL1MAPT

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-2393812-B1 SUBSTITUTED SPIROAMIDES AS B1R-MODULATORS GRUENENTHAL GMBH (DE) 2013-07-03 EP disclosed