SCHEMBL6972013

SCHEMBL6972013

CC(O)(C(=O)O)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
LMNA P02545 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.51
ALDH1A1 P00352 4/20 0.51
PRKDC P78527 3/20 0.50
SLC13A5 Q86YT5 1/20 0.50
AKR1C3 P42330 2/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
TP53 P04637 2/20 0.47
MAPK1 P28482 2/20 0.47
ATM Q13315 1/20 0.47
PKM P14618 1/20 0.47
GSK3B P49841 1/20 0.46
EPHX1 P07099 1/20 0.46
PIK3CD O00329 2/20 0.46
PIK3CA P42336 2/20 0.46
PIK3CB P42338 2/20 0.46
PIK3CG P48736 2/20 0.46
KMO O15229 1/20 0.45

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
SCHEMBL10473981 0.85 MAPT (0.56) MAPTLMNASMN1; SMN2ALDH1A1PRKDC
SCHEMBL8431738 0.83 SLC13A5 (0.52) MAPTLMNASMN1; SMN2ALDH1A1PRKDC
SCHEMBL15577925 0.81 MAPT (0.52) MAPTLMNASMN1; SMN2ALDH1A1PRKDC
SCHEMBL5738297 0.81 MAPT (0.54) MAPTLMNASMN1; SMN2ALDH1A1PRKDC
SCHEMBL12592356 0.79 SMN1; SMN2 (0.51) MAPTLMNASMN1; SMN2ALDH1A1PRKDC
SCHEMBL2899040 0.79 LMNA (0.56) MAPTLMNASMN1; SMN2ALDH1A1PRKDC
SCHEMBL10473259 0.78 MAPT (0.49) MAPTLMNASMN1; SMN2ALDH1A1PRKDC
SCHEMBL270272 0.77 MAPT (0.65) MAPTLMNASMN1; SMN2ALDH1A1PRKDC
SCHEMBL10472739 0.77 SLC2A1 (0.49) MAPTLMNASMN1; SMN2ALDH1A1SLC13A5
SCHEMBL10473286 0.76 SLC13A5 (0.49) MAPTLMNASMN1; SMN2ALDH1A1PRKDC

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0973756-B1 THIODEPSIPEPTIDES FOR COMBATING ENDOPARASITES AND A METHOD FOR PRODUCING THE SAME BAYER AG (DE) 2003-03-26 EP disclosed
US-6265537-B1 CYCLIC COMPOUNDS; NEMATOCIDES FOR HUMANS AND ANIMALS BAYER AKTIENGESELLSCHAFT (DE) 2001-07-24 US disclosed
EP-0973756-A1 THIODEPSIPEPTIDES FOR COMBATING ENDOPARASITES AND A METHOD FOR PRODUCING THE SAME BAYER AG (DE) 2000-01-26 EP disclosed
WO-1998043965-A1 THIODEPSIPEPTIDES FOR COMBATING ENDOPARASITES AND A METHOD FOR PRODUCING THE SAME BAYER AKTIENGESELLSCHAFT (DE) 1998-10-08 WO disclosed