SCHEMBL8136221

SCHEMBL8136221

CCOC(=O)NC(CC(=O)O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
CYP26A1 O43174 1/20 0.48
ATM Q13315 3/20 0.48
MMP8 P22894 1/20 0.48
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MDM4 O15151 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
MDM2 Q00987 1/20 0.45
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45

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
Hydrochloric Acid SCHEMBL27396293 0.98 SMN1; SMN2 (0.51) SMN1; SMN2CYP26A1ATMMMP8GAA
SCHEMBL9831680 0.88 SMN1; SMN2 (0.60) SMN1; SMN2CYP26A1ATMGAAL3MBTL1
SCHEMBL4850183 0.87 CTSA (0.48) SMN1; SMN2LMNANPSR1RXFP1
SCHEMBL10359105 0.86 RIPK1 (0.57) SMN1; SMN2ATMMMP8GAALMNA
SCHEMBL13495005 0.86 RIPK1 (0.57) SMN1; SMN2ATMMMP8GAALMNA
SCHEMBL10359104 0.86 RIPK1 (0.57) SMN1; SMN2ATMMMP8GAALMNA
SCHEMBL844472 0.85 SMN1; SMN2 (0.57) SMN1; SMN2L3MBTL1ALDH1A1LMNAMAPT
SCHEMBL14040614 0.85 SMN1; SMN2 (0.57) SMN1; SMN2L3MBTL1ALDH1A1LMNAMAPT
SCHEMBL755362 0.85 SMN1; SMN2 (0.52) SMN1; SMN2CYP26A1ATML3MBTL1ALDH1A1
SCHEMBL756366 0.85 SMN1; SMN2 (0.52) SMN1; SMN2CYP26A1ATML3MBTL1ALDH1A1

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
CN-107793351-B Beta-amino acid synthesis method and beta-amino acid synthesized by same 上海交通大学 2020-11-10 CN disclosed
EP-0738269-B1 PIPERIDINE DERIVATIVES WITH PAF ANTAGONIST ACTIVITY URIACH & CIA SA J (ES) 2000-04-26 EP disclosed
US-5705504-A PLATELET ACTIVATING FACTOR J. URIACH & CIA, S.A. (ES) 1998-01-06 US disclosed
EP-0738269-A1 NOVEL PIPERIDINE DERIVATIVES WITH PAF ANTAGONIST ACTIVITY J. URIACH & CIA. S.A. (ES) 1996-10-23 EP disclosed
WO-1996014317-A1 NOVEL PIPERIDINE DERIVATIVES WITH PAF ANTAGONIST ACTIVITY J. URIACH & CIA. S.A. (ES) 1996-05-17 WO disclosed