SCHEMBL5668367

SCHEMBL5668367

CCCCCOC(=O)C(C)c1ccccc1O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.51
TP53 P04637 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPK1 P28482 1/20 0.51
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.50
CNR2 P34972 1/20 0.47
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
HSD17B10 Q99714 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
SCHEMBL2728744 0.98 TSHR (0.53) TSHRTP53CYP3A4MAPK1ALDH1A1
SCHEMBL10825007 0.95 TSHR (0.50) TSHRTP53CYP3A4MAPK1ALDH1A1
SCHEMBL31074064 0.82 TSHR (0.53) TSHRALDH1A1LMNATDP1POLB
SCHEMBL10858287 0.82 TSHR (0.53) TSHRALDH1A1LMNATDP1POLB
SCHEMBL6726998 0.81 TSHR (0.51) TSHRTP53CYP3A4MAPK1ALDH1A1
SCHEMBL11512129 0.81 NAAA (0.47)
SCHEMBL27679038 0.80 TSHR (0.49) TSHRTP53CYP3A4MAPK1ALDH1A1
SCHEMBL29140980 0.80 TSHR (0.49) TSHRTP53CYP3A4MAPK1ALDH1A1
SCHEMBL14361092 0.80 TSHR (0.50) TSHRTP53CYP3A4MAPK1ALDH1A1
SCHEMBL2291006 0.80 NPC1 (0.57) TSHRTP53CYP3A4MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556733-A4 ELECTROCHROMIC DEVICES HAVING AN ELECTRON SHUTTLE GENTEX CORP (US) 2006-02-08 EP disclosed
EP-1556733-A1 ELECTROCHROMIC DEVICES HAVING AN ELECTRON SHUTTLE Gentex Corporation (US) 2005-07-27 EP disclosed
WO-2004042463-A1 ELECTROCHROMIC DEVICES HAVING AN ELECTRON SHUTTLE GENTEX CORPORATION (US) 2004-05-21 WO disclosed