SCHEMBL9419451

SCHEMBL9419451

CC(=O)Oc1cccc(OCCCCOc2cccc(OC(C)=O)c2C(=O)O)c1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.57
PPARA Q07869 1/20 0.57
PTGS2 P35354 4/20 0.50
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
TSHR P16473 3/20 0.50
HSD17B10 Q99714 2/20 0.50
MAPK1 P28482 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
ESR1 P03372 1/20 0.50
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
HMGB1 P09429 1/20 0.50
HPGD P15428 1/20 0.50
GGT1 P19440 1/20 0.50

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
SCHEMBL9419438 0.98 PPARG (0.59) PPARGPPARAPTGS2KDM4EALDH1A1
SCHEMBL6996922 0.88 CA12 (0.63) PPARGPPARAPTGS2KDM4EALDH1A1
SCHEMBL28423316 0.81 CA12 (0.55) PPARGPPARATSHRCA12CA1
SCHEMBL9394952 0.81 CA12 (0.78) PPARGPPARAPTGS2KDM4EALDH1A1
SCHEMBL9712657 0.79 KMT2A (0.57) PPARGPPARAALDH1A1CA12CA1
SCHEMBL9393216 0.79 CA12 (0.59) PPARGPPARAPTGS2KDM4EALDH1A1
SCHEMBL23748636 0.78 CA12 (0.66) PPARATSHRCA12CA1CA2
SCHEMBL9419449 0.78 MAPK1 (0.73) PTGS2KDM4EALDH1A1TSHRHSD17B10
SCHEMBL9364224 0.77 KDM4E (0.55) PPARGPPARAPTGS2KDM4EALDH1A1
SCHEMBL1156927 0.77 KDM4E (0.70) PPARGPPARAPTGS2KDM4EALDH1A1

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
EP-0580386-A1 Aromatic polyanhydrides ETHICON, INC. (US) 1994-01-26 EP disclosed
US-5264540-A Purification of acid monomer and anhydride prepolymer ETHICON, INC. (US) 1993-11-23 US disclosed