SCHEMBL14200735

SCHEMBL14200735

CCCN(Cc1ccc(OC)c(OC)c1)C(=O)CC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
MAPT P10636 5/20 0.47
ALDH1A1 P00352 4/20 0.47
HTT P42858 3/20 0.47
LMNA P02545 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
NPC1 O15118 2/20 0.47
HPGD P15428 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.47
KDM4E B2RXH2 1/20 0.45
MITF O75030 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LPAR1 Q92633 2/20 0.44
LPAR5 Q9H1C0 2/20 0.44
PLIN1 O60240 1/20 0.44
GSTO1 P78417 1/20 0.44

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
SCHEMBL14200828 0.93 HDAC3 (0.45) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL14229047 0.85 APP (0.50) APPMEN1KMT2AMAPTALDH1A1
SCHEMBL14543451 0.84 ALDH1A1 (0.44) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL14200797 0.81 TSPO (0.50) MEN1KMT2A
SCHEMBL14200898 0.80 HDAC1 (0.40) LMNANPC1HPGDRAB9ATP53
SCHEMBL14200831 0.79 LDHA (0.43) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL14200852 0.79 RIPK1 (0.51) ALDH1A1HTTNPSR1NPC1HPGD
SCHEMBL14200786 0.79 TSHR (0.41) ALDH1A1SMN1; SMN2
SCHEMBL14200767 0.78 LDHA (0.42) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL10956705 0.78 POLB (0.56) APPMEN1KMT2AMAPTALDH1A1

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