SCHEMBL5074185

SCHEMBL5074185

[CH2]CCCCCCCCCCCCCCCCCCS(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
NLRP3 Q96P20 1/20 0.35
FAAH O00519 2/20 0.33
LOX P28300 1/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
MMP9 P14780 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
CA2 P00918 1/20 0.30

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
SCHEMBL789133 1.00 ALDH1A1 (0.41) ALDH1A1LMNATP53NLRP3FAAH
SCHEMBL322671 1.00 ALDH1A1 (0.41) ALDH1A1LMNATP53NLRP3FAAH
SCHEMBL788984 1.00 ALDH1A1 (0.41) ALDH1A1LMNATP53NLRP3FAAH
SCHEMBL7860230 1.00 ALDH1A1 (0.41) ALDH1A1LMNATP53NLRP3FAAH
SCHEMBL8489437 1.00 ALDH1A1 (0.41) ALDH1A1LMNATP53NLRP3FAAH
SCHEMBL794694 1.00 ALDH1A1 (0.41) ALDH1A1LMNATP53NLRP3FAAH
SCHEMBL788478 0.97
SCHEMBL148081 0.88
SCHEMBL9185106 0.85 ALDH1A1 (0.50) ALDH1A1LMNATP53NLRP3FAAH
SCHEMBL5461072 0.85 ALDH1A1 (0.50) ALDH1A1LMNATP53NLRP3FAAH

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