SCHEMBL2792299

SCHEMBL2792299

CCCC[Sn](CCCC)(CCCC)c1ccc(CNC(=O)O)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
NPC1 O15118 1/20 0.35
EPHX2 P34913 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NAAA Q02083 1/20 0.31
METAP2 P50579 1/20 0.31
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TSHR P16473 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 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
SCHEMBL30758504 0.82 CTSK (0.41) MEN1KMT2ALMNAL3MBTL1TSHR
SCHEMBL15721102 0.76 MEN1 (0.32) ALDH1A1MAPTHTTHPGDMEN1
SCHEMBL16552854 0.76 ALDH1A1 (0.30) ALDH1A1HPGD
SCHEMBL6644298 0.76 GAA (0.34) RAB9AHTTNPC1SMN1; SMN2HPGD
SCHEMBL22075956 0.75 MAPT (0.37) ALDH1A1MAPTHTTHPGDMEN1
SCHEMBL591209 0.74
SCHEMBL1164387 0.72 MAPT (0.35) ALDH1A1MAPTKDM4EHSD17B10LMNA
SCHEMBL3462780 0.72 MAPT (0.35) ALDH1A1MAPTKDM4EHSD17B10LMNA
SCHEMBL14691442 0.72 MAPT (0.35) ALDH1A1MAPTKDM4EHSD17B10LMNA
SCHEMBL1785362 0.72 MAPT (0.35) ALDH1A1MAPTKDM4EHSD17B10LMNA

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-9334304-B2 Self-assembling peptides bearing organic electronic functionality and applications employing the same THE JOHNS HOPKINS UNIVERSITY (US) 2016-05-10 US disclosed
WO-2010115080-A2 SELF-ASSEMBLING PEPTIDES BEARING ORGANIC ELECTRONIC FUNCTIONALITY AND APPLICATIONS EMPLOYING THE SAME THE JOHNS HOPKINS UNIVERSITY (US) 2010-10-07 WO disclosed