SCHEMBL11068097

SCHEMBL11068097

CCC(Oc1cccc2c(O)cccc12)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.51
PPARG P37231 4/20 0.51
ESR1 P03372 12/20 0.48
ESR2 Q92731 12/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
GAA P10253 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
JAK2 O60674 1/20 0.48
USP2 O75604 1/20 0.48
MAPT P10636 1/20 0.48
ALOX15 P16050 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
LTB4R Q15722 1/20 0.44
POLB P06746 1/20 0.43
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL17633012 0.84 SMN1; SMN2 (0.49) PPARAPPARGKMT2AGAASMN1; SMN2
SCHEMBL6664136 0.84 SMN1; SMN2 (0.49) PPARAPPARGKMT2AGAASMN1; SMN2
SCHEMBL8935882 0.83 PPARG (0.67) PPARAPPARGMEN1KMT2AGAA
SCHEMBL8821208 0.83 PPARG (0.67) PPARAPPARGMEN1KMT2AGAA
SCHEMBL10741839 0.81 THRB (0.49) PPARAPPARGSMN1; SMN2LTB4R
SCHEMBL9315719 0.80 KMT2A (0.56) PPARAPPARGESR1ESR2MEN1
SCHEMBL9659165 0.79 PPARG (0.56) PPARAPPARGESR1ESR2MEN1
SCHEMBL8586491 0.79 LTB4R (0.58) PPARAPPARGSMN1; SMN2LTB4R
SCHEMBL3144299 0.78 PPARA (0.50) PPARAPPARGSMN1; SMN2LTB4R
SCHEMBL17014662 0.78 SLC6A2 (0.45) ESR1ESR2MEN1KMT2AGAA

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-4424231-A Compounds FISONS LIMITED (GB) 1984-01-03 US disclosed