SCHEMBL14229293

SCHEMBL14229293

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 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 0.39
LMNA P02545 3/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTGES O14684 1/20 0.39
TSHR P16473 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
CTBP2 P56545 1/20 0.38
CTSB P07858 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL14228979 0.90 TAS1R3 (0.41) HSP90AA1MEN1KMT2AALDH1A1RAB9A
SCHEMBL14229226 0.88 CTSB (0.40) HSP90AA1MEN1KMT2AALDH1A1RAB9A
SCHEMBL14229248 0.88 MEN1 (0.43) HSP90AA1MEN1KMT2AALDH1A1RAB9A
SCHEMBL14200809 0.84 MEN1 (0.42) HSP90AA1MEN1KMT2AALDH1A1RAB9A
SCHEMBL14229289 0.84 MEN1 (0.42) HSP90AA1MEN1KMT2AALDH1A1RAB9A
SCHEMBL14228970 0.83 SMN1; SMN2 (0.37) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL14229067 0.83 TSPO (0.48) MEN1KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL14229249 0.82 RAB9A (0.40) HSP90AA1MEN1KMT2AALDH1A1RAB9A
SCHEMBL14229238 0.78 PSEN1 (0.45) ALDH1A1TSHR
SCHEMBL14229072 0.78 RIPK1 (0.46) MEN1KMT2AALDH1A1HTT

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