SCHEMBL11866044

SCHEMBL11866044

CCCCCC(=O)CC[C@H]1C=CC(=O)[C@H]1CCCCCCC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.61
PPARD Q03181 8/20 0.61
PPARA Q07869 8/20 0.61
TRPA1 O75762 2/20 0.57
NR4A2 P43354 2/20 0.57
KMT2A Q03164 2/20 0.51
MAPT P10636 1/20 0.51
DNTT P04053 1/20 0.46
GPR84 Q9NQS5 6/20 0.44
HDAC11 Q96DB2 5/20 0.44
TSHR P16473 4/20 0.44
ALDH1A1 P00352 2/20 0.44
TLR2 O60603 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
FABP4 P15090 2/20 0.44
PTPN1 P18031 2/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
SLC22A8 Q8TCC7 1/20 0.44
MEN1 O00255 1/20 0.44
ESR1 P03372 1/20 0.44

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
SCHEMBL11866056 1.00 PPARG (0.61) PPARGPPARDPPARATRPA1NR4A2
SCHEMBL17451520 0.92 PPARG (0.67) PPARGPPARDPPARATRPA1NR4A2
SCHEMBL11800847 0.92 PPARG (0.67) PPARGPPARDPPARATRPA1NR4A2
SCHEMBL15287190 0.92 PPARG (0.67) PPARGPPARDPPARATRPA1NR4A2
SCHEMBL10018320 0.86 PPARG (0.43) PPARGPPARDPPARATRPA1NR4A2
SCHEMBL12034625 0.86 PPARG (0.43) PPARGPPARDPPARATRPA1NR4A2
SCHEMBL20792223 0.86 PPARG (0.43) PPARGPPARDPPARATRPA1NR4A2
SCHEMBL11866149 0.85 PPARG (0.48) PPARGPPARDPPARATRPA1NR4A2
SCHEMBL11866141 0.85 PPARG (0.48) PPARGPPARDPPARATRPA1NR4A2
SCHEMBL11866489 0.85 DNTT (0.50) PPARGPPARDPPARATRPA1NR4A2

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-3984455-A Prostaglandin E1 analogs THE UPJOHN COMPANY (US) 1976-10-05 US disclosed