SCHEMBL9513697

SCHEMBL9513697

COC(=O)COc1ccc(C(C)CNC(C)=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.61
ALDH1A1 P00352 2/20 0.49
TSHR P16473 1/20 0.49
GAA P10253 1/20 0.48
MTNR1A P48039 4/20 0.48
MTNR1B P49286 4/20 0.48
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTGS2 P35354 1/20 0.46
RAB9A P51151 1/20 0.45
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL9765333 0.87 ALDH1A1 (0.66) ACACBALDH1A1TSHRMTNR1AMTNR1B
SCHEMBL9512709 0.83 MTNR1A (0.67) ACACBALDH1A1MTNR1AMTNR1BMEN1
SCHEMBL14177768 0.82 ALDH1A1 (0.71) ALDH1A1TSHRGAAMEN1POLB
SCHEMBL8284596 0.80 RAB9A (0.60) ALDH1A1TSHRGAAMEN1POLB
SCHEMBL12227873 0.78 GAA (0.65) ALDH1A1TSHRGAAMEN1POLB
SCHEMBL256524 0.78 ACACB (0.81) ACACB
SCHEMBL2116437 0.78 PTGS2 (0.66) ALDH1A1GAAMEN1POLBKMT2A
SCHEMBL11373728 0.77 MEN1 (0.53) ALDH1A1TSHRGAAMEN1POLB
SCHEMBL163363 0.76 ACACB (1.00) ACACB
SCHEMBL19555325 0.75 GAA (0.55) ALDH1A1TSHRGAAMEN1POLB

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-0325245-B1 Phenoxyacetic acid derivatives, preparation thereof, pharmaceutical compositions comprising them and use TANABE SEIYAKU CO (JP) 1993-10-20 EP disclosed
US-4948810-A PLATELET AGGREGATION INHIBITORS TANABE SEIYAKU CO., LTD. (JP) 1990-08-14 US disclosed
EP-0325245-A1 Phenoxyacetic acid derivatives, preparation thereof, pharmaceutical compositions comprising them and use TANABE SEIYAKU CO., LTD. (JP) 1989-07-26 EP disclosed