SCHEMBL5042694

SCHEMBL5042694

CCCC(NC(=O)Cc1cccc(Oc2ccccc2)c1)C(=O)O.Cc1cc(Cl)nc(N)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.43
ACE P12821 1/20 0.43
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
GPR132 Q9UNW8 3/20 0.40
POLB P06746 2/20 0.39
PTGES O14684 1/20 0.39
RAB9A P51151 2/20 0.39
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
PSMB5 P28074 2/20 0.38
CTSD P07339 1/20 0.37
KLKB1 P03952 1/20 0.37
FFAR1 O14842 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
SCHEMBL5042693 0.90 MME (0.42) MMEACECPA1ACE2ALDH1A1
SCHEMBL3902883 0.84 MME (0.56) MMEACECPA1ACE2ALDH1A1
SCHEMBL21964974 0.77 ALDH1A1 (0.51) MMEACECPA1ACE2ALDH1A1
SCHEMBL5047012 0.77 GPR132 (0.43) MMEACECPA1ACE2ALDH1A1
SCHEMBL5041103 0.76 MME (0.43) MMEACECPA1ACE2ALDH1A1
SCHEMBL5139716 0.76 ALDH1A1 (0.52) MMEACECPA1ACE2ALDH1A1
SCHEMBL4064892 0.74 CTBP2 (0.54) ALDH1A1GPR132POLBRAB9A
SCHEMBL5214799 0.74 GPR132 (0.50) MMEACECPA1ACE2ALDH1A1
SCHEMBL5046992 0.74 GPR132 (0.42) MMEACECPA1ACE2ALDH1A1
SCHEMBL4060569 0.73 POLB (0.52) ALDH1A1SMN1; SMN2GPR132POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1654260-A4 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2008-09-24 EP disclosed
EP-1654260-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-05-10 EP disclosed
WO-2005011601-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS, INC. (US) 2005-02-10 WO disclosed