SCHEMBL6450398

SCHEMBL6450398

CCCc1c(N)cccc1OCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.53
GLA P06280 1/20 0.53
LTB4R Q15722 2/20 0.51
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYSLTR2 Q9NS75 6/20 0.46
CYSLTR1 Q9Y271 6/20 0.46
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
NFKB1 P19838 1/20 0.43
BLM P54132 1/20 0.43
PPARD Q03181 1/20 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
SCHEMBL8957184 0.83 LTB4R (0.58) L3MBTL1GLALTB4RPOLBSMN1; SMN2
SCHEMBL8957175 0.79 LTB4R (0.61) L3MBTL1GLALTB4RPOLBSMN1; SMN2
SCHEMBL5386792 0.79 L3MBTL1 (0.65) L3MBTL1GLALTB4RPOLBSMN1; SMN2
SCHEMBL29040313 0.78 L3MBTL1 (0.54) L3MBTL1GLAPOLBSMN1; SMN2KDM4E
SCHEMBL6392895 0.77 KDM4E (0.54) L3MBTL1GLAPOLBSMN1; SMN2KDM4E
SCHEMBL2981438 0.77 L3MBTL1 (0.61) L3MBTL1GLAPOLBSMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL215800 0.76 KDM4E (0.53) L3MBTL1GLAPOLBSMN1; SMN2KDM4E
SCHEMBL11289542 0.75 ALDH1A1 (0.52) POLBSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL27515402 0.75 KDM4E (0.49) L3MBTL1GLAPOLBSMN1; SMN2KDM4E
SCHEMBL4576444 0.74 L3MBTL1 (0.66) L3MBTL1GLALTB4RPOLBSMN1; SMN2

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
EP-1589959-A2 METHODS OF TREATING LOWER URINARY TRACT DISORDERS USING SODIUM CHANNEL MODULATORS Dynogen Pharmaceuticals Inc. (US) 2005-11-02 EP disclosed
WO-2004066990-A2 METHODS OF TREATING LOWER URINARY TRACT DISORDERS USING SODIUM CHANNEL MODULATORS DYNOGEN PHARMACEUTICALS, INC. (US) 2004-08-12 WO disclosed