SCHEMBL5688979

SCHEMBL5688979

O=C(O)O[C@@H]1Cc2ccccc2N1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.57
MAPT P10636 1/20 0.57
EPHX2 P34913 1/20 0.38
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
MTNR1A P48039 3/20 0.36
MTNR1B P49286 1/20 0.36
AR P10275 1/20 0.36
ALDH1A1 P00352 1/20 0.35
FABP7 O15540 1/20 0.35
FABP5 Q01469 1/20 0.35
SMYD3 Q9H7B4 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
MAPK1 P28482 1/20 0.32
DYRK1A Q13627 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
SCHEMBL1386080 1.00 GAA (0.57) GAAMAPTEPHX2BRD4CREBBP
SCHEMBL5688782 1.00 GAA (0.57) GAAMAPTEPHX2BRD4CREBBP
Hydrochloric Acid SCHEMBL7313114 0.98 GAA (0.56) GAAMAPTEPHX2BRD4CREBBP
SCHEMBL9408124 0.90 GAA (0.48) GAAMAPT
SCHEMBL27477039 0.85 GAA (0.51) GAAMAPTEPHX2BRD4CREBBP
SCHEMBL8120364 0.85 GAA (0.51) GAAMAPTEPHX2BRD4CREBBP
SCHEMBL6211215 0.83 MAPT (0.46) GAAMAPTMTNR1AMTNR1BALDH1A1
SCHEMBL2487417 0.82 GAA (0.49) GAAMAPTEPHX2BRD4CREBBP
SCHEMBL8444853 0.82 GAA (0.49) GAAMAPTEPHX2BRD4CREBBP
SCHEMBL27604666 0.80 GAA (0.46) GAAMAPTEPHX2BRD4CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2285770-B1 PROCESS FOR THE SYNTHESIS OF ARFORMOTEROL CIPLA LTD (IN) 2015-05-20 EP claimed
EP-1348684-B1 Method for synthesis of (2S)-indoline-2-carboxylic acid; and use in the synthesis of perindopril SERVIER LAB (FR) 2006-03-08 EP claimed
EP-0308339-B1 PROCESS FOR THE INDUSTRIAL PREPARATION OF PERHYDROINDOLE -2(2S,3AS,7AS)-CARBOXYLIC ACID, USE IN THE PREPARATION OF CARBOXYALKYL DIPEPTIDES ADIR ET COMPAGNIE (FR) 1992-05-06 EP claimed
EP-0197474-B1 PROCESS FOR PREPARING OPTICALLY ACTIVE INDOLINE-2-CARBOXYLIC ACID KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-07-10 EP claimed
EP-0896580-A1 SPECIFIC IMMUNOPHILIN LIGANDS AS ANTIASTHMATICS AND IMMUNOSUPPRESSANTS ASTA Medica Aktiengesellschaft (DE) 1999-02-17 EP disclosed
WO-1997041148-A1 SPECIFIC IMMUNOPHILIN LIGANDS AS ANTIASTHMATICS AND IMMUNOSUPPRESSANTS ASTA MEDICA AKTIENGESELLSCHAFT (DE) 1997-11-06 WO disclosed