SCHEMBL11022210

SCHEMBL11022210

CCC(=O)Nc1ccc(OC(C)=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.65
HSD17B10 Q99714 2/20 0.60
TSHR P16473 2/20 0.60
HTT P42858 1/20 0.60
ALDH1A1 P00352 3/20 0.56
HPGD P15428 2/20 0.56
RAB9A P51151 1/20 0.56
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
MAPT P10636 2/20 0.54
POLB P06746 2/20 0.54
ATM Q13315 1/20 0.54
HSP90AA1 P07900 1/20 0.54
MTNR1A P48039 2/20 0.54
MTNR1B P49286 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
KDM4E B2RXH2 1/20 0.53
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51

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
SCHEMBL6907643 0.89 GAA (0.57) GAAHSD17B10TSHRHTTALDH1A1
SCHEMBL31362602 0.86 TP53 (0.64) GAAHSD17B10TSHRHTTALDH1A1
SCHEMBL10713248 0.86 RAB9A (0.63) GAATSHRHTTALDH1A1HPGD
SCHEMBL6073513 0.84 GAA (0.63) GAAHSD17B10TSHRHTTALDH1A1
SCHEMBL5228411 0.84 GAA (0.63) GAAHSD17B10TSHRHTTALDH1A1
SCHEMBL6905913 0.84 GAA (0.63) GAAHSD17B10TSHRHTTALDH1A1
SCHEMBL26804176 0.84 GAA (0.53) GAATSHRHTTALDH1A1HPGD
SCHEMBL27691356 0.84 CA12 (0.54) GAATSHRHTTALDH1A1HPGD
SCHEMBL9591943 0.83 POLB (0.51) GAATSHRHTTALDH1A1HPGD
SCHEMBL863079 0.83 HPGD (0.63) GAAHSD17B10TSHRHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0053940-B1 POLY(ESTER-AMIDE) CAPABLE OF FORMING AN ANISOTROPIC MELT PHASE DERIVED FROM 6-HYDROXY-2-NAPHTHOIC ACID, DICARBOXYLIC ACID AND AROMATIC MONOMER CAPABLE OF FORMING AN AMIDE LINKAGE CELANESE CORPORATION (US) 1985-04-03 EP disclosed
EP-0053940-A1 Poly(ester-amide) capable of forming an anisotropic melt phase derived from 6-hydroxy-2-naphthoic acid, dicarboxylic acid and aromatic monomer capable of forming an amide linkage CELANESE CORPORATION (US) 1982-06-16 EP disclosed
US-4330457-A Poly(ester-amide) capable of forming an anisotropic melt phase derived from 6-hydroxy-2-naphthoic acid, dicarboxylic acid, and aromatic monomer capable of forming an amide linkage CELANESE CORPORATION (US) 1982-05-18 US disclosed