SCHEMBL4020876

SCHEMBL4020876

CNC(=O)CC(C)(Oc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.49
PPARA Q07869 4/20 0.49
ADORA3 P0DMS8 1/20 0.40
ALPL P05186 1/20 0.39
ALPI P09923 1/20 0.39
ALPG P10696 1/20 0.39
ELANE P08246 2/20 0.39
PTPN1 P18031 1/20 0.39
ATM Q13315 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 2/20 0.38
CASP3 P42574 2/20 0.38
SENP7 Q9BQF6 2/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
MAPT P10636 2/20 0.37
SLC6A3 Q01959 1/20 0.37
LMNA P02545 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP6 Q9GZR1 1/20 0.37

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
SCHEMBL7087893 0.79 PPARG (0.57) PPARGPPARAADORA3ELANEMAPT
SCHEMBL1960387 0.78 PPARG (0.62) PPARGPPARAADORA3ELANEMAPT
SCHEMBL3465228 0.76 PPARG (0.58) PPARGPPARAADORA3ELANEMAPT
SCHEMBL3975913 0.76 PPARG (0.54) PPARGPPARAADORA3ELANEPTPN1
SCHEMBL2517199 0.76 PPARG (0.54) PPARGPPARAADORA3ELANEMAPT
SCHEMBL4904737 0.75 PPARG (0.47) PPARGPPARAADORA3RAB9ANPC1
SCHEMBL82055 0.75 PPARG (0.53) PPARGPPARAADORA3ELANEMAPT
SCHEMBL8935937 0.75 PPARG (0.53) PPARGPPARAADORA3ELANEMAPT
SCHEMBL5322591 0.75 PPARG (0.79) PPARGPPARAPTPN1
SCHEMBL9417313 0.75 PPARA (0.53) PPARGPPARAADORA3ELANEMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009011655-A1 SPLROPIPERIDINE COMPOUNDS, A PROCESS OF THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THE TREATMENT OF AIRWAY DISEASES, INFLAMMATORY DISEASES, COPD OR ASTHMA ASTRAZENECA AB (SE) 2009-01-22 WO disclosed