SCHEMBL4168935

SCHEMBL4168935

CC1COC(=O)c2ccc(cc2)-c2ccc(cc2)C(=O)O1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 9/20 0.37
MAOA P21397 8/20 0.36
MAOB P27338 7/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL66015 0.98 MAOA (0.37) GRM2MAOAMAOBSMN1; SMN2
Ethylene SCHEMBL11664467 0.94 MAOA (0.35) GRM2MAOAMAOBSMN1; SMN2
SCHEMBL9017382 0.87 RXRA (0.40)
SCHEMBL533284 0.85 GSTP1 (0.39) GRM2MAOAMAOB
Succinic Acid SCHEMBL1325312 0.85 HTT (0.40) GRM2MAOAMAOBSMN1; SMN2
SCHEMBL2111856 0.85 MAOA (0.37) GRM2MAOAMAOB
SCHEMBL31138104 0.85 MAOA (0.37) GRM2MAOAMAOB
SCHEMBL8781662 0.84 GSTP1 (0.38) GRM2MAOAMAOB
Acrylonitrile SCHEMBL8340878 0.84
Adipic Acid SCHEMBL1326117 0.82 HTT (0.38) GRM2SMN1; SMN2

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
EP-1112174-B1 ISOSORBIDE CONTAINING POLYESTERS AND METHODS FOR MAKING SAME DU PONT (US) 2009-07-01 EP claimed
EP-1112174-A4 ISOSORBIDE CONTAINING POLYESTERS AND METHODS FOR MAKING SAME DU PONT (US) 2002-05-22 EP claimed
EP-1112174-A1 ISOSORBIDE CONTAINING POLYESTERS AND METHODS FOR MAKING SAME E.I. DUPONT DE NEMOURS AND COMPANY (US) 2001-07-04 EP claimed
US-6063464-A HEATING WITH CATALYST; ISOSORBIDE IS A RENEWABLE MONOMER HNA HOLDINGS, INC. (US) 2000-05-16 US claimed
WO-1999054119-A1 ISOSORBIDE CONTAINING POLYESTERS AND METHODS FOR MAKING SAME E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-10-28 WO claimed