SCHEMBL9547569

SCHEMBL9547569

O=C(O)c1ccc(C(=O)O)c(C(=O)O)c1CCCCc1c(C(=O)O)ccc(C(=O)O)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
PPARA Q07869 3/20 0.39
RARB P10826 2/20 0.38
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37
PPARG P37231 2/20 0.36
SELL P14151 1/20 0.35
SELP P16109 1/20 0.35
KLKB1 P03952 1/20 0.35
CTSB P07858 1/20 0.35
MMP9 P14780 1/20 0.35
DNMT1 P26358 1/20 0.35
DNMT3B Q9UBC3 1/20 0.35
DNMT3L Q9UJW3 1/20 0.35
DNMT3A Q9Y6K1 1/20 0.35
BID P55957 4/20 0.35
MCL1 Q07820 4/20 0.35
KAT8 Q9H7Z6 4/20 0.35
BCL2L1 Q07817 3/20 0.35
BAK1 Q16611 3/20 0.35

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
SCHEMBL9547631 0.98 PPARA (0.41) CYP1A2PPARARARBALDH1A1ALOX15
SCHEMBL9547567 0.98 PPARA (0.41) CYP1A2PPARARARBALDH1A1ALOX15
SCHEMBL9547628 0.96 CYP1A2 (0.42) CYP1A2PPARARARBALDH1A1ALOX15
SCHEMBL106659 0.91 CYP1A2 (0.46) CYP1A2ALDH1A1ALOX15SELLSELP
SCHEMBL5072778 0.89 PPARA (0.54) PPARARARBALDH1A1PPARGBID
SCHEMBL11146346 0.89 PPARA (0.54) PPARARARBALDH1A1PPARGBID
SCHEMBL19953532 0.89 PPARA (0.54) PPARARARBALDH1A1PPARGBID
SCHEMBL1264820 0.89 PPARA (0.54) PPARARARBALDH1A1PPARGBID
SCHEMBL5072798 0.88 GABRP (0.49) CYP1A2PPARARARBALDH1A1ALOX15
SCHEMBL31153153 0.87 PPARA (0.37) CYP1A2PPARARARBALDH1A1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5115089-A Heat resistant polymers for electrical insulation, protective coatings for electronics formed by reaction of tetracarboxylic dianhydrides and diaminoamides and diamines HITACHI CHEMICAL CO., LTD. (JP) 1992-05-19 US claimed
US-20120202015-A1 METHOD FOR MANUFACTURING ADHESION BODY, METHOD FOR MANUFACTURING SUBSTRATE WITH ADHESIVE PATTERN, AND SUBSTRATE WITH ADHESIVE PATTERN HITACHI CHEMICAL COMPANY, LTD. (JP) 2012-08-09 US disclosed
EP-0308270-B1 Processes for preparation of polyimide-isoindoquinazoline dione and precursor thereof HITACHI CHEMICAL CO LTD (JP) 1993-12-08 EP disclosed
US-5115089-A Heat resistant polymers for electrical insulation, protective coatings for electronics formed by reaction of tetracarboxylic dianhydrides and diaminoamides and diamines HITACHI CHEMICAL CO., LTD. (JP) 1992-05-19 US disclosed
EP-0308270-A2 Processes for preparation of polyimide-isoindoquinazoline dione and precursor thereof Hitachi Chemical Co., Ltd. (JP) 1989-03-22 EP disclosed