SCHEMBL9547628

SCHEMBL9547628

O=C(O)c1ccc(C(=O)O)c(C(=O)O)c1CCCc1c(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
ALDH1A1 P00352 3/20 0.37
ALOX15 P16050 1/20 0.37
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
GABRP O00591 2/20 0.35
GABRD O14764 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRB1 P18505 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 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
SCHEMBL9547569 0.96 CYP1A2 (0.42) CYP1A2ALDH1A1ALOX15SELLSELP
SCHEMBL9547631 0.94 PPARA (0.41) CYP1A2ALDH1A1ALOX15PPARARARB
SCHEMBL9547567 0.94 PPARA (0.41) CYP1A2ALDH1A1ALOX15PPARARARB
SCHEMBL106659 0.91 CYP1A2 (0.46) CYP1A2ALDH1A1ALOX15SELLSELP
SCHEMBL5072798 0.88 GABRP (0.49) CYP1A2ALDH1A1ALOX15GABRPGABRD
SCHEMBL11146346 0.85 PPARA (0.54) ALDH1A1PPARARARB
SCHEMBL19953532 0.85 PPARA (0.54) ALDH1A1PPARARARB
SCHEMBL5072778 0.85 PPARA (0.54) ALDH1A1PPARARARB
SCHEMBL1264820 0.85 PPARA (0.54) ALDH1A1PPARARARB
SCHEMBL31153148 0.83 PPARA (0.37) CYP1A2ALDH1A1GABRPGABRDGABRA1

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