SCHEMBL9468152

SCHEMBL9468152

CCCCOC(=O)CC(CC(=O)O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
GABBR2 O75899 1/20 0.49
GABBR1 Q9UBS5 1/20 0.49
MAPT P10636 1/20 0.48
TSHR P16473 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
FNTA P49354 4/20 0.45
FNTB P49356 4/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.45
CYP3A4 P08684 2/20 0.43
MAPK1 P28482 2/20 0.43

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
SCHEMBL9467365 0.95 ALDH1A1 (0.54) ALDH1A1TSHRTDP1L3MBTL1SMN1; SMN2
SCHEMBL9467430 0.90 ALDH1A1 (0.59) ALDH1A1TSHRTDP1L3MBTL1SMN1; SMN2
SCHEMBL14680082 0.90 NPC1 (0.56) ALDH1A1TSHRSMN1; SMN2NPC1RAB9A
SCHEMBL5320001 0.87 GABBR2 (0.55) ALDH1A1GABBR2GABBR1TSHRTDP1
SCHEMBL23191566 0.84 TSHR (0.53) ALDH1A1MAPTTSHRTDP1L3MBTL1
SCHEMBL28642234 0.84 F2 (0.55) ALDH1A1GABBR2GABBR1MAPTTSHR
SCHEMBL7141857 0.84 F2 (0.55) ALDH1A1GABBR2GABBR1MAPTTSHR
SCHEMBL9468345 0.83 L3MBTL1 (0.43) ALDH1A1TSHRTDP1L3MBTL1SMN1; SMN2
SCHEMBL16624902 0.83 L3MBTL1 (0.53) ALDH1A1TSHRTDP1L3MBTL1SMN1; SMN2
SCHEMBL29012579 0.83 NPC1 (0.52) ALDH1A1TSHRSMN1; SMN2NPC1RAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5262313-A Reaction of carrageen with esterase and hardening drops ANDCARE, INC. (US) 1993-11-16 US disclosed