SCHEMBL9875137

SCHEMBL9875137

CCCCC(CCC)c1cc(OO)ccc1C(C)C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.36
PPARG P37231 4/20 0.33
PPARA Q07869 4/20 0.33
PTGES O14684 2/20 0.33
ALOX5 P09917 2/20 0.33
LTA4H P09960 2/20 0.32
GAA P10253 1/20 0.30
XBP1 P17861 1/20 0.30
ATM Q13315 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CARM1 Q86X55 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
SCHEMBL4220231 0.77 LMNA (0.39)
SCHEMBL7559321 0.74 TYR (0.38) ALOX5LTA4HNPSR1CARM1
SCHEMBL19389252 0.70 CA12 (0.43)
SCHEMBL21565263 0.68 NR5A1 (0.49) LTA4HCARM1
SCHEMBL9456483 0.68 ALDH1A1 (0.37) PPARGPPARALTA4H
SCHEMBL10348376 0.67 TDP1 (0.49) GAANPSR1L3MBTL1CARM1
SCHEMBL10814812 0.67 THRA (0.49)
SCHEMBL6447799 0.67 HTT (0.35) ALOX5NPSR1
SCHEMBL177521 0.66 TSHR (0.50) ATM
SCHEMBL30628000 0.66 TSHR (0.50) ATM

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-5043142-A Measuring peroxide-active substances TERUMO KABUSHIKI KAISHA (JP) 1991-08-27 US disclosed