SCHEMBL6664147

SCHEMBL6664147

COC(=O)Cc1c[nH]c2cc(OCc3ccccc3)ccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.60
HPGD P15428 1/20 0.60
MDH2 P40926 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
PPARG P37231 3/20 0.56
IMPDH2 P12268 1/20 0.54
LTA4H P09960 5/20 0.53
PLA2G2A P14555 5/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
HSP90AA1 P07900 1/20 0.53
HSP90AB1 P08238 1/20 0.53
TRPM8 Q7Z2W7 3/20 0.53
MAPT P10636 2/20 0.50
POLB P06746 1/20 0.50
HTR1D P28221 1/20 0.50
KDM4E B2RXH2 1/20 0.50
PPARD Q03181 1/20 0.50
PPARA Q07869 1/20 0.50
ECE1 P42892 1/20 0.49

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
SCHEMBL853597 0.91 LTA4H (0.64) PPARGLTA4HPLA2G2AMEN1KMT2A
SCHEMBL30176255 0.91 LTA4H (0.64) PPARGLTA4HPLA2G2AMEN1KMT2A
SCHEMBL7123353 0.89 PKM (0.62) ALDH1A1HPGDMDH2SMN1; SMN2PPARG
SCHEMBL4473938 0.88 ALDH1A1 (0.65) ALDH1A1HPGDMDH2SMN1; SMN2PPARG
SCHEMBL9950019 0.86 ALDH1A1 (0.62) ALDH1A1HPGDMDH2SMN1; SMN2PPARG
SCHEMBL14488753 0.82 CTSV (0.52) ALDH1A1HPGDSMN1; SMN2LTA4HPLA2G2A
SCHEMBL14487863 0.82 TRPM8 (0.46) ALDH1A1HPGDMDH2SMN1; SMN2PPARG
SCHEMBL30866124 0.81 LTA4H (0.67) ALDH1A1HPGDMDH2SMN1; SMN2PPARG
SCHEMBL29186144 0.81 LTA4H (0.67) ALDH1A1HPGDMDH2SMN1; SMN2PPARG
SCHEMBL2433763 0.81 MDH2 (0.69) ALDH1A1HPGDMDH2SMN1; SMN2IMPDH2

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
WO-2004024939-A2 LIGANDS FOR THE PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR, AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2004-03-25 WO disclosed