SCHEMBL10795293

SCHEMBL10795293

CCC(C)Sc1ccc(OCCCS(=O)(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.42
PPARA Q07869 11/20 0.42
ALOX5 P09917 8/20 0.42
PTGES O14684 5/20 0.41
S1PR1 P21453 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 3/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
BRCA1 P38398 1/20 0.39
HTT P42858 1/20 0.39
GMNN O75496 1/20 0.39
PKM P14618 1/20 0.39
THPO P40225 1/20 0.39
MTOR P42345 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
SCHEMBL9268024 0.79 NR1I2 (0.49) PPARGPPARAALOX5PTGESALDH1A1
SCHEMBL9856427 0.79 PPARG (0.38) PPARGPPARAALOX5PTGESALDH1A1
SCHEMBL10789684 0.79 LTA4H (0.44) PPARGPPARAALOX5PTGESALDH1A1
SCHEMBL14119420 0.78 MEN1 (0.57) ALDH1A1KDM4ELMNAPOLBRAB9A
SCHEMBL4872642 0.78 ALDH1A1 (0.54) S1PR1ALDH1A1KDM4ELMNAPOLB
SCHEMBL11280179 0.77 SMN1; SMN2 (0.46) S1PR1ALDH1A1KDM4ELMNAPOLB
SCHEMBL12781078 0.77 CA12 (0.56) S1PR1ALDH1A1KDM4ELMNAPOLB
SCHEMBL5583900 0.77 ALDH1A1 (0.53) S1PR1ALDH1A1KDM4ELMNAPOLB
SCHEMBL9856294 0.76 PPARG (0.39) PPARGPPARAALOX5PTGESALDH1A1
SCHEMBL9856269 0.76 TAAR1 (0.44) PPARGPPARAALOX5PTGESSMN1; SMN2

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-4697033-A INSECTICIDES SANDOZ LTD. (CH) 1987-09-29 US disclosed