SCHEMBL5076240

SCHEMBL5076240

CCCCCCCCCCC(CCCCCCCCCC)(CCCCCCCCCC)C(=O)OCC1CO1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.42
ENPP2 Q13822 1/20 0.40
LPAR2 Q9HBW0 1/20 0.40
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LPAR1 Q92633 3/20 0.37
LPAR3 Q9UBY5 3/20 0.37

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
SCHEMBL28804241 0.87 ALDH1A1 (0.49) ALDH1A1TDP1SMN1; SMN2ENPP2LPAR2
SCHEMBL284419 0.86 CYP4F2 (0.47) ALDH1A1TDP1SMN1; SMN2ENPP2LPAR2
SCHEMBL27961199 0.85 ALDH1A1 (0.45) ALDH1A1TDP1SMN1; SMN2ENPP2LPAR2
SCHEMBL21769282 0.85 ALDH1A1 (0.45) ALDH1A1TDP1SMN1; SMN2ENPP2LPAR2
SCHEMBL9957587 0.84 CYP4F2 (0.45) ALDH1A1TDP1SMN1; SMN2ENPP2LPAR2
SCHEMBL9637136 0.84 ALDH1A1 (0.47) ALDH1A1TDP1SMN1; SMN2ENPP2LPAR2
SCHEMBL10773349 0.82 ALDH1A1 (0.41) ALDH1A1TDP1SMN1; SMN2ENPP2LPAR2
SCHEMBL12026823 0.79 ALDH1A1 (0.44) ALDH1A1TDP1SMN1; SMN2ENPP2LPAR2
Methacrylic Acid SCHEMBL16894025 0.78 ALDH1A1 (0.48) ALDH1A1TDP1SMN1; SMN2ENPP2LPAR2
SCHEMBL9636219 0.78 ALDH1A1 (0.44) ALDH1A1TDP1SMN1; SMN2ENPP2LPAR2

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
EP-1697465-B1 POLYMER NANOCOMPOSITES AND METHODS FOR THEIR PREPARATION GEN ELECTRIC (US) 2008-02-13 EP disclosed
EP-1697465-A2 POLYMER NANOCOMPOSITES AND METHODS FOR THEIR PREPARATION GENERAL ELECTRIC COMPANY (US) 2006-09-06 EP disclosed
WO-2005061623-A2 POLYMER NANOCOMPOSITES AND METHODS FOR THEIR PREPARATION GENERAL ELECTRIC COMPANY (US) 2005-07-07 WO disclosed
US-20050137310-A1 Polymer nanocomposites and methods for their preparation CITIBANK, N.A., AS COLLATERAL AGENT 2005-06-23 US disclosed