SCHEMBL5077216

SCHEMBL5077216

CCCCCCCCCCCCCC[CH]S(=O)(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.47
TDP1 Q9NUW8 1/20 0.46
PSIP1 O75475 1/20 0.44
ABCB1 P08183 5/20 0.43
TLR9 Q9NR96 1/20 0.42
SOAT2 O75908 1/20 0.41
SOAT1 P35610 1/20 0.41
ABCC1 P33527 3/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
PTGS2 P35354 1/20 0.39
FAAH O00519 1/20 0.39

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
SCHEMBL7330132 0.98 TDP1 (0.47) EPHX2TDP1PSIP1ABCB1TLR9
SCHEMBL29171177 0.88 TDP1 (0.45) EPHX2TDP1PSIP1ABCB1TLR9
SCHEMBL4394025 0.85 PSIP1 (0.50) TDP1PSIP1ABCB1TLR9ALDH1A1
SCHEMBL8655900 0.84 TLR9 (0.50) TDP1TLR9ALDH1A1TSHR
SCHEMBL6901744 0.83 EPHX2 (0.51) EPHX2TDP1PSIP1ABCB1TLR9
SCHEMBL6901746 0.83 EPHX2 (0.51) EPHX2TDP1PSIP1ABCB1TLR9
SCHEMBL132867 0.82 TLR9 (0.42) EPHX2TDP1PSIP1TLR9ALDH1A1
SCHEMBL7878733 0.82 TLR9 (0.52) TDP1TLR9ALDH1A1TSHR
SCHEMBL8366439 0.81 TLR9 (0.50) EPHX2TDP1PSIP1ABCB1TLR9
SCHEMBL8366438 0.81 TLR9 (0.50) EPHX2TDP1PSIP1ABCB1TLR9

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