SCHEMBL8551946

SCHEMBL8551946

CCS(=O)(=O)N1CCc2c(C(=O)O)cccc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
BRD4 O60885 2/20 0.37
LIG1 P18858 1/20 0.36
TP53 P04637 3/20 0.36
FABP4 P15090 1/20 0.36
GAA P10253 1/20 0.35
POLB P06746 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL2992351 0.74 ALDH1A1 (0.45) ALDH1A1HTTALOX15
SCHEMBL2996231 0.74 DHPS (0.42) MAPTALDH1A1L3MBTL1LMNAHTT
SCHEMBL2997809 0.72 HTT (0.46) MAPTALDH1A1LMNAHTTPOLB
SCHEMBL2998761 0.71 DHPS (0.62) MAPTALDH1A1L3MBTL1LMNAHTT
SCHEMBL2998675 0.71 HTT (0.49) ALDH1A1HTTALOX15
SCHEMBL2995949 0.69 HSD11B1 (0.40) ALDH1A1L3MBTL1LMNAHTTFABP4
SCHEMBL3005941 0.68 ALOX15 (0.41) MAPTALDH1A1L3MBTL1LMNAHTT
SCHEMBL569778 0.66 ALDH1A1 (0.47) MAPTALDH1A1L3MBTL1LMNALIG1
SCHEMBL31032281 0.66 ALDH1A1 (0.47) MAPTALDH1A1L3MBTL1LMNALIG1
SCHEMBL22312061 0.65 TSHR (0.51) MAPTALDH1A1TP53GAAPOLB

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-0846112-A1 BICYCLIC HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-06-10 EP disclosed