SCHEMBL7876590

SCHEMBL7876590

CCCCOC(C)(OCCCC)OC(C)c1cccc(C(=O)O)c1C(=O)O.CCCCOC(C)(OCCCC)c1cccc(C(=O)O)c1C(=O)O.COC(C)(OC)c1cccc(C(=O)O)c1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC37A4 O43826 1/20 0.36
TSHR P16473 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
PPARA Q07869 1/20 0.32
ALDH1A1 P00352 3/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
PTPN11 Q06124 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
SCHEMBL7019536 0.89 SLC37A4 (0.40) SLC37A4TSHRTDP1L3MBTL1ALDH1A1
SCHEMBL3374028 0.82 TSHR (0.45) SLC37A4TSHRTDP1L3MBTL1PPARA
SCHEMBL2470059 0.81 SLC37A4 (0.38) SLC37A4TSHRTDP1L3MBTL1ALDH1A1
SCHEMBL3100646 0.74 CA12 (0.43) TSHRTDP1ALDH1A1HSD17B10KDM4E
SCHEMBL9011052 0.73 SLC37A4 (0.45) SLC37A4TSHRTDP1L3MBTL1ALDH1A1
SCHEMBL28526977 0.72 KDM4E (0.41) SLC37A4TSHRTDP1L3MBTL1PPARA
SCHEMBL10392099 0.70 ALOX15 (0.39) TSHRTDP1ALDH1A1HSD17B10KDM4E
SCHEMBL2470054 0.68 PPARA (0.35) SLC37A4TSHRTDP1L3MBTL1PPARA
SCHEMBL11889790 0.67 TSHR (0.38) SLC37A4TSHRTDP1L3MBTL1PPARA
SCHEMBL3667886 0.67 ALDH1A1 (0.55) TSHRTDP1L3MBTL1ALDH1A1HSD17B10

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
US-6316569-B1 RESISTANCE TO PHOTO-FATIGUE; FOR OPHTHALMIC APPLICATIONS CORNING S.A. (FR) 2001-11-13 US disclosed