SCHEMBL16348388

SCHEMBL16348388

O=C(O)C(Oc1ccc(Cl)cc1-c1nc(-c2ccc(Br)cc2)co1)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.47
PPARA Q07869 2/20 0.47
MCL1 Q07820 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
CASP3 P42574 1/20 0.39
KMT2A Q03164 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
GRM7 Q14831 1/20 0.38
DHODH Q02127 2/20 0.36
SMO Q99835 2/20 0.35
TP53 P04637 1/20 0.34
CNR1 P21554 2/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL16348391 0.77 PPARG (0.48) PPARGPPARAMEN1POLBCASP3
SCHEMBL13523037 0.77 PPARG (0.49) PPARGPPARAMEN1POLBCASP3
SCHEMBL16348403 0.76 PPARA (0.54) PPARGPPARAMEN1POLBCASP3
SCHEMBL16348401 0.76 PPARG (0.47) PPARGPPARA
SCHEMBL16348399 0.76 PPARG (0.47) PPARGPPARA
SCHEMBL16348439 0.75 PPARA (0.52) PPARGPPARAMEN1POLBCASP3
SCHEMBL16348353 0.75 PPARG (0.55) PPARGPPARAMEN1POLBCASP3
SCHEMBL16348373 0.75 PPARG (0.55) PPARGPPARAMEN1POLBCASP3
SCHEMBL16348436 0.74 LMNA (0.47) MCL1MEN1KMT2AGRM7SMO
SCHEMBL13523059 0.73 PPARG (0.48) PPARGPPARAMEN1POLBCASP3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642358-B2 Substituted phenylacetic acids METABOLEX, INC. (US) 2010-01-05 US disclosed
US-7642358-B2 Substituted phenylacetic acids METABOLEX, INC. (US) 2010-01-05 US disclosed