SCHEMBL7174642

SCHEMBL7174642

C=CCNCC(=O)Nc1c(C)ccc(O)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 6/20 0.36
HTT P42858 2/20 0.36
HPGD P15428 2/20 0.35
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
GAA P10253 4/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
NFKB1 P19838 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 2/20 0.34
ALOX12 P18054 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
LMNA P02545 2/20 0.33
TP53 P04637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL7124281 0.82 TERT (0.42) KDM4EALDH1A1HTTGAAMEN1
SCHEMBL7171188 0.82 MEN1 (0.51) KDM4EALDH1A1HTTGAAMEN1
SCHEMBL8396114 0.80 ALDH1A1 (0.40) KDM4EALDH1A1HTTACHEGAA
SCHEMBL8398430 0.79 CA1 (0.43) KDM4EALDH1A1HTTGAAMEN1
SCHEMBL7174644 0.77 ALDH1A1 (0.39) KDM4EALDH1A1HTTGAAMEN1
SCHEMBL8393467 0.71 ALDH1A1 (0.42) KDM4EALDH1A1HTTGAAMEN1
SCHEMBL10676572 0.70 ALDH1A1 (0.62) KDM4EALDH1A1HPGDGAAMEN1
SCHEMBL6243924 0.70 ALDH1A1 (0.68) KDM4EALDH1A1HPGDGAAMEN1
SCHEMBL8520467 0.69 KDM4E (0.59) KDM4EHTTBCHEACHEMEN1
SCHEMBL30300553 0.67 MEN1 (0.62) ALDH1A1HTTGAAMEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030040028-A1 Analgesic screening method and composition MILLER JAMES L (US) 2003-02-27 US disclosed
US-6489119-B1 SELECTING ANALGESIC AGENTS BASED ON THEIR SELECTIVE ABILITY TO BLOCK TETRODOTOXIN-INSENSITIVE SODIUM CHANNELS, PARTICULARLY IN COMPARISON TO BLOCKING TETRODOTOXIN-SENSITIVE SODIUM CHANNELS. ALSO DISCLOSED IS A NOVEL CLASS OF COMPOUNDS ELAN PHARMACEUTICALS, INC. 2002-12-03 US disclosed
EP-0915834-A1 METHOD AND COMPOSITIONS FOR PRODUCING ANALGESIA ELAN PHARMACEUTICALS, INC. (US) 1999-05-19 EP disclosed
WO-1997033860-A1 METHOD AND COMPOSITIONS FOR PRODUCING ANALGESIA NEUREX CORPORATION (US) 1997-09-18 WO disclosed