SCHEMBL14200765

SCHEMBL14200765

CCCC(C)N(Cc1ccc(C)c(C)c1)C(=O)CC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
LMNA P02545 2/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
UBE2M P61081 1/20 0.33
DCUN1D1 Q96GG9 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PSMB5 P28074 1/20 0.32
KIF11 P52732 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
MMP1 P03956 1/20 0.30

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
SCHEMBL14200776 0.93 NPC1 (0.35) TAS1R3TAS1R1LMNAHDAC1HDAC6
SCHEMBL14200827 0.90 TRPM8 (0.37) TAS1R3TAS1R1LMNAHDAC1HDAC6
SCHEMBL14200846 0.88 TAS1R3 (0.36) TAS1R3TAS1R1LMNAHDAC1HDAC6
SCHEMBL14229223 0.85 TAS1R3 (0.38) TAS1R3TAS1R1LMNAUBE2MDCUN1D1
SCHEMBL14200878 0.85 RIPK1 (0.47) UBE2MDCUN1D1RAB9AALDH1A1RIPK1
SCHEMBL14200947 0.85 MEN1 (0.39) TAS1R3TAS1R1LMNAUBE2MDCUN1D1
SCHEMBL14200843 0.85 PSEN1 (0.41) SMN1; SMN2
SCHEMBL14200894 0.84 NPC1 (0.36) TAS1R3TAS1R1LMNAHDAC1HDAC6
SCHEMBL14200767 0.83 LDHA (0.42) LMNAMEN1KMT2AL3MBTL1NPC1
SCHEMBL14200896 0.83 LMNA (0.36) TAS1R3TAS1R1LMNAHDAC1HDAC6

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 3 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
US-7208517-B1 Endothelin antagonists ABBOTT LABORTORIES (US) 2007-04-24 US disclosed