SCHEMBL1903121

SCHEMBL1903121

CCC(O)OC(=O)c1ccc(N)cc1C(O)CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.39
MAOA P21397 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2C P28335 1/20 0.36
CHRNA4 P43681 1/20 0.36
HTR3A P46098 1/20 0.36
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
ADRB3 P13945 2/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ALDH1A1 P00352 4/20 0.36
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA7 P43166 3/20 0.35
CA9 Q16790 3/20 0.35
CA14 Q9ULX7 3/20 0.35
CYP3A4 P08684 4/20 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
SCHEMBL28553416 0.82 GAA (0.41) GAAMAOACHRM2CHRM3HTR2C
SCHEMBL7148262 0.80 ALDH1A1 (0.49) GAAADRB3ALDH1A1CYP3A4LMNA
SCHEMBL16973272 0.77 ALDH1A1 (0.36) GAAALDH1A1CA2CYP3A4LMNA
SCHEMBL29082623 0.74 PBRM1 (0.45) GAAALDH1A1LMNAMAPTKDM4E
SCHEMBL5571825 0.73 LMNA (0.58) GAAMAOACHRM2HTR3AKCNH2
SCHEMBL1513963 0.71 TSHR (0.53) ALDH1A1CA2CYP3A4LMNAKDM4E
SCHEMBL30120579 0.71 PDE2A (0.39) GAAALDH1A1CYP3A4LMNAMAPT
SCHEMBL11402718 0.71 PDE2A (0.39) GAAALDH1A1CYP3A4LMNAMAPT
SCHEMBL3110030 0.71 ALDH1A1 (0.60) GAAALDH1A1CYP3A4MAPTKDM4E
SCHEMBL2128862 0.71 ALDH1A1 (0.49) GAAALDH1A1CA12CA1CA2

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-2493702-B1 SECURITY DOCUMENT BANK OF ENGLAND (GB) 2014-12-31 EP disclosed
EP-2493702-A1 SECURITY DOCUMENT THE GOVERNOR AND COMPANY OF THE BANK OF ENGLAND (GB) 2012-09-05 EP disclosed
WO-2011051712-A1 SECURITY DOCUMENT THE GOVERNOR & COMPANY OF THE BANK OF ENGLAND (GB) 2011-05-05 WO disclosed