SCHEMBL15865288

SCHEMBL15865288

CC(C)COC(=O)N=NC(=O)Oc1ccccc1.CCCCOC(=O)N=NC(=O)Oc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.42
TDP1 Q9NUW8 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
FAAH O00519 7/20 0.42
ALDH1A1 P00352 5/20 0.40
LMNA P02545 2/20 0.40
CYP3A4 P08684 2/20 0.39
MAPK1 P28482 2/20 0.39
TP53 P04637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LTA4H P09960 1/20 0.38
ALOX5 P09917 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38

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
SCHEMBL15843546 0.91 TSHR (0.50) TSHRTDP1L3MBTL1FAAHALDH1A1
SCHEMBL15843547 0.91 TSHR (0.50) TSHRTDP1L3MBTL1FAAHALDH1A1
SCHEMBL15843162 0.89 ALDH1A1 (0.49) TSHRL3MBTL1ALDH1A1LMNATP53
SCHEMBL15843161 0.89 ALDH1A1 (0.49) TSHRL3MBTL1ALDH1A1LMNATP53
SCHEMBL15843802 0.86 TSHR (0.51) TSHRTDP1L3MBTL1FAAHALDH1A1
SCHEMBL15843801 0.86 TSHR (0.51) TSHRTDP1L3MBTL1FAAHALDH1A1
SCHEMBL15843637 0.85 TSHR (0.53) TSHRFAAHALDH1A1LMNACYP3A4
SCHEMBL15843638 0.85 TSHR (0.53) TSHRFAAHALDH1A1LMNACYP3A4
SCHEMBL15843503 0.85 TSHR (0.53) TSHRFAAHALDH1A1LMNACYP3A4
SCHEMBL15843504 0.85 TSHR (0.53) TSHRFAAHALDH1A1LMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014107447-A1 FUNCTIONALIZED POLYMERS BRIDGESTONE CORPORATION (JP) 2014-07-10 WO claimed