SCHEMBL2846748

SCHEMBL2846748

CCCCC(CC(=O)O)N(Cc1ccccc1)[C@@H](C)c1ccccc1.[Li]CCCC

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
CNR2 P34972 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MMP2 P08253 9/20 0.34
MMP1 P03956 4/20 0.34
MMP3 P08254 4/20 0.34
CTSL P07711 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL20212169 0.94 POLB (0.43) POLBCNR2MEN1KMT2AMMP2
SCHEMBL3698937 0.94 POLB (0.43) POLBCNR2MEN1KMT2AMMP2
SCHEMBL18109669 0.94 POLB (0.43) POLBCNR2MEN1KMT2AMMP2
SCHEMBL15608798 0.94 POLB (0.43) POLBCNR2MEN1KMT2AMMP2
SCHEMBL2847080 0.94 POLB (0.43) POLBCNR2MEN1KMT2AMMP2
SCHEMBL4205630 0.85 POLB (0.40) POLBCNR2MEN1KMT2AMMP2
SCHEMBL4205633 0.85 POLB (0.40) POLBCNR2MEN1KMT2AMMP2
SCHEMBL8624830 0.82 POLB (0.42) POLBCNR2MEN1KMT2ACTSL
SCHEMBL7376886 0.82 POLB (0.42) POLBCNR2MEN1KMT2ACTSL
SCHEMBL7373925 0.82 POLB (0.42) POLBCNR2MEN1KMT2ACTSL

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-2222648-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ASTHMA, COPD, ALLERGIC RHINITIS, ALLERGIC CONJUNCTIVITIS, ATOPIC DERMATITIS, CANCER, HEPATITIS B, HEPATITIS C, HIV, HPV, BACTERIAL INFECTIONS AND DERMATOSIS AstraZeneca AB (SE) 2010-09-01 EP disclosed
WO-2009067081-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ASTHMA, COPD, ALLERGIC RHINITIS, ALLERGIC CONJUNCTIVITIS, ATOPIC DERMATITIS, CANCER, HEPATITIS B, HEPATITIS C, HIV, HPV, BACTERIAL INFECTIONS AND DERMATOSIS ASTRAZENECA AB (SE) 2009-05-28 WO disclosed