SCHEMBL4556609

SCHEMBL4556609

COc1ccc(COc2cc(Cl)cc(C(=O)O)c2O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MRGPRX4 Q96LA9 4/20 0.51
KDM4E B2RXH2 3/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
PLA2G4B P0C869 1/20 0.46
FFAR1 O14842 1/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
CSNK2A2 P19784 1/20 0.46
CSNK2A1 P68400 1/20 0.46
PTGER1 P34995 1/20 0.45
ALDH1A1 P00352 2/20 0.45
HTT P42858 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
SCHEMBL4570534 0.85 MAOB (0.47) POLBNPC1RAB9ASMN1; SMN2MRGPRX4
SCHEMBL17770539 0.84 MRGPRX4 (0.67) POLBNPC1RAB9ASMN1; SMN2MRGPRX4
SCHEMBL9356634 0.80 POLB (0.55) POLBNPC1RAB9ASMN1; SMN2MRGPRX4
SCHEMBL1950961 0.80 MRGPRX4 (0.54) POLBNPC1RAB9ASMN1; SMN2MRGPRX4
SCHEMBL21679225 0.79 RAB9A (0.54) POLBNPC1RAB9ASMN1; SMN2MRGPRX4
SCHEMBL4868587 0.77 AKR1C4 (0.58) POLBKDM4EMEN1KMT2AMAPT
SCHEMBL24977302 0.76 KMT2A (0.52) POLBNPC1RAB9ASMN1; SMN2MRGPRX4
SCHEMBL22160247 0.76 RAB9A (0.68) POLBNPC1RAB9ASMN1; SMN2MRGPRX4
SCHEMBL9356550 0.75 POLB (0.52) POLBNPC1RAB9ASMN1; SMN2MRGPRX4
SCHEMBL1388037 0.75 RXRA (0.60) POLBNPC1RAB9ASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125728-A1 NOVEL COMBINATION OF COMPOUNDS TO BE USED IN THE TREATMENT OF AIRWAY DISEASES, ESPECIALLY CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) AND ASTHMA AstraZeneca AB (SE) 2009-12-02 EP disclosed
WO-2008103125-A1 NOVEL COMBINATION OF COMPOUNDS TO BE USED IN THE TREATMENT OF AIRWAY DISEASES, ESPECIALLY CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) AND ASTHMA ASTRAZENECA AB (SE) 2008-08-28 WO disclosed