SCHEMBL4649583

SCHEMBL4649583

O=C(c1ccccc1Oc1cccc(C(=O)O)c1C(=O)O)c1ccccc1Oc1cccc(C(=O)O)c1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.54
CDC25B P30305 2/20 0.47
ELANE P08246 2/20 0.46
AKR1C3 P42330 1/20 0.46
ALDH1A1 P00352 5/20 0.45
ALOX15 P16050 1/20 0.45
KMT2A Q03164 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
KDM4E B2RXH2 5/20 0.44
HPGD P15428 5/20 0.44
HSD17B10 Q99714 5/20 0.44
ESR1 P03372 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
HMGB1 P09429 1/20 0.44
TSHR P16473 1/20 0.44
GGT1 P19440 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 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
SCHEMBL28260571 0.93 HTT (0.62) HTTAKR1C3ALDH1A1ALOX15KMT2A
SCHEMBL3694635 0.92 AKR1C3 (0.59) HTTCDC25BELANEAKR1C3ALDH1A1
SCHEMBL6003587 0.91 HTT (0.59) HTTAKR1C3ALDH1A1ALOX15KMT2A
SCHEMBL143861 0.91 HTT (0.53) HTTAKR1C3ALDH1A1ALOX15KMT2A
SCHEMBL29395127 0.91 HTT (0.53) HTTAKR1C3ALDH1A1ALOX15KMT2A
Water SCHEMBL7618236 0.89 HTT (0.52) HTTAKR1C3ALDH1A1ALOX15KMT2A
SCHEMBL10699806 0.86 HTT (0.50) HTTAKR1C3ALDH1A1ALOX15KMT2A
Butane SCHEMBL15005123 0.86 HTT (0.54) HTTALDH1A1KMT2AKDM4EHPGD
SCHEMBL11066360 0.84 CTNNB1 (0.54) HTTAKR1C3ALDH1A1ALOX15KMT2A
SCHEMBL29435067 0.84 CTNNB1 (0.58) HTTAKR1C3ALDH1A1ALOX15KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963433-A2 ANNULAR OR TUBULAR SHAPED ARTICLES OF NOVEL POLYMER BLENDS General Electric Company (US) 2008-09-03 EP disclosed
WO-2007075365-A2 ANNULAR OR TUBULAR SHAPED ARTICLES OF NOVEL POLYMER BLENDS GENERAL ELECTRIC COMPANY (US) 2007-07-05 WO disclosed
EP-0594386-B1 Ductile blends of polyester-carbonate and polyimide resins GEN ELECTRIC (US) 2003-09-17 EP disclosed
EP-0325718-A2 Ternary polymer blends containing a polyetherimide, a polyphthalate carbonate, and rubber modified vinyl aromatic polymer GENERAL ELECTRIC COMPANY (US) 1989-08-02 EP disclosed
US-4612400-A Autoxidation of bis(ortho dialkyl-phenoxy)benzophenones THE DOW CHEMICAL COMPANY (US) 1986-09-16 US disclosed
EP-0181000-A2 Foamable polyetherimide resin formulation GENERAL ELECTRIC COMPANY (US) 1986-05-14 EP disclosed
US-4577034-A Autoxidation of bis(ortho dialkyl-phenoxy)benzophenones THE DOW CHEMICAL COMPANY (US) 1986-03-18 US disclosed
EP-0158734-A1 Thermally stabilized polyetherimides GENERAL ELECTRIC COMPANY (US) 1985-10-23 EP disclosed
US-4543368-A DIHYDRODIAZINONE BLOWING AGENT GENERAL ELECTRIC COMPANY (US) 1985-09-24 US disclosed
US-4508861-A CONTAINING ANTIOXIDANT SELECTED FROM HINDERED PHENOLS, ARYL PHOSPHONITES, ORGANIC PHOSPHITES, THIOESTERS OR MIXTURES GENERAL ELECTRIC COMPANY (US) 1985-04-02 US disclosed