SCHEMBL15048558

SCHEMBL15048558

Cc1cccc(C)c1OCCCCC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 1/20 0.51
TSHR P16473 1/20 0.50
PTGER1 P34995 1/20 0.49
PTGER4 P35408 1/20 0.49
PTGER3 P43115 1/20 0.49
PTGER2 P43116 1/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 1/20 0.49
PPARA Q07869 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
SCN8A Q9UQD0 1/20 0.47
PPARG P37231 1/20 0.46
PPARD Q03181 1/20 0.46

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
SCHEMBL1751992 0.89 L3MBTL1 (0.55) ALDH1A1KDM4ETSHRPTGER1PTGER4
SCHEMBL8163440 0.88 TSHR (0.54) ALDH1A1KDM4ETSHRPTGER1PTGER4
SCHEMBL8158272 0.88 TSHR (0.54) ALDH1A1KDM4ETSHRPTGER1PTGER4
SCHEMBL9501831 0.83 POLB (0.56) KDM4ETSHRPTGER1PTGER4PTGER3
SCHEMBL7695345 0.83 KDM4E (0.55) ALDH1A1KDM4ETSHRPTGER1PTGER4
SCHEMBL28759656 0.83 L3MBTL1 (0.48) ALDH1A1KDM4ETSHRPTGER1PTGER4
SCHEMBL3043854 0.81 TSHR (0.61) ALDH1A1KDM4ETSHRKMT2AMEN1
SCHEMBL8158403 0.80 HDAC3 (0.52) ALDH1A1KDM4EKMT2AMEN1L3MBTL1
SCHEMBL22782667 0.79 TSHR (0.59) ALDH1A1TSHRKMT2AMEN1LMNA
SCHEMBL8355272 0.79 TSHR (0.59) ALDH1A1TSHRKMT2AMEN1LMNA

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-8470861-B2 Mitochondria-targeted antioxidant prodrugs and methods of use UNIVERSITY OF ROCHESTER (US) 2013-06-25 US claimed