SCHEMBL14229248

SCHEMBL14229248

CCCC(=O)N(Cc1cccc(C)c1)C(C)CC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TRPM8 Q7Z2W7 1/20 0.42
HSP90AA1 P07900 1/20 0.41
PTGES O14684 1/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 2/20 0.40
TSHR P16473 1/20 0.40
FNTA P49354 2/20 0.39
FNTB P49356 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.39
JAK2 O60674 1/20 0.39
HTT P42858 1/20 0.39
PAX8 Q06710 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.38
POLB P06746 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC6A2 P23975 1/20 0.38

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
SCHEMBL14229289 0.91 MEN1 (0.42) MEN1KMT2AHSP90AA1PTGESRAB9A
SCHEMBL14229249 0.88 RAB9A (0.40) MEN1KMT2AHSP90AA1PTGESRAB9A
SCHEMBL14229293 0.88 HSP90AA1 (0.41) MEN1KMT2AHSP90AA1PTGESRAB9A
SCHEMBL14200804 0.84 MEN1 (0.41) MEN1KMT2ATRPM8HSP90AA1PTGES
SCHEMBL14228979 0.84 TAS1R3 (0.41) MEN1KMT2AHSP90AA1PTGESRAB9A
SCHEMBL14228962 0.83 TRPM8 (0.39) MEN1KMT2ATRPM8LMNAFNTA
SCHEMBL14229222 0.83 TSPO (0.47) MEN1KMT2ALMNAALDH1A1L3MBTL1
SCHEMBL14229226 0.82 CTSB (0.40) MEN1KMT2AHSP90AA1PTGESRAB9A
SCHEMBL14229396 0.78 PSEN1 (0.46) TSHR
SCHEMBL14229066 0.78 RIPK1 (0.45) MEN1KMT2ATRPM8FNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365093-B2 Endothelin antagonists ABBOTT LABORATORIES (US) 2008-04-29 US disclosed
US-7208517-B1 Endothelin antagonists ABBOTT LABORTORIES (US) 2007-04-24 US disclosed