SCHEMBL14229223

SCHEMBL14229223

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LTB4R2 Q9NPC1 1/20 0.36
UBE2M P61081 1/20 0.34
DCUN1D1 Q96GG9 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 2/20 0.33
ALOX15 P16050 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
S1PR1 P21453 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TP53 P04637 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32

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
SCHEMBL14229891 0.92 LTB4R2 (0.40) TAS1R3TAS1R1MEN1KMT2ALTB4R2
SCHEMBL14228962 0.90 TRPM8 (0.39) TAS1R3TAS1R1MEN1KMT2ALTB4R2
SCHEMBL14229924 0.87 TAS1R3 (0.39) TAS1R3TAS1R1MEN1KMT2ALTB4R2
SCHEMBL14200765 0.85 TAS1R3 (0.36) TAS1R3TAS1R1MEN1KMT2AUBE2M
SCHEMBL14229282 0.84 PSEN1 (0.46) SMN1; SMN2
SCHEMBL14229289 0.84 MEN1 (0.42) TAS1R3TAS1R1MEN1KMT2AUBE2M
SCHEMBL14229894 0.84 RIPK1 (0.44) MEN1KMT2ALTB4R2UBE2MDCUN1D1
SCHEMBL14228970 0.83 SMN1; SMN2 (0.37) TAS1R3TAS1R1MEN1KMT2ALTB4R2
SCHEMBL14229065 0.82 LTB4R2 (0.38) TAS1R3TAS1R1MEN1KMT2ALTB4R2
SCHEMBL14229512 0.82 LDHA (0.45) MEN1KMT2AL3MBTL1ALDH1A1ALOX15

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