SCHEMBL6879567

SCHEMBL6879567

O=C(O)C(C(=O)O)C1CCCCN1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 8/20 0.47
SLC6A2 P23975 6/20 0.47
SLC6A4 P31645 4/20 0.47
DHFR P00374 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL19815510 0.81 SLC6A3 (0.46) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL19815556 0.81 SLC6A3 (0.46) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL2264951 0.79 SLC6A3 (0.45) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL25859924 0.79 SLC6A3 (0.49) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL5496016 0.79 SLC6A3 (0.49) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL5525427 0.78 SLC6A3 (0.47) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL14942027 0.77 SLC6A3 (0.45) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL8438512 0.75 SLC6A3 (0.42) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL10775306 0.74 MEN1 (0.41) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL7284064 0.74 MEN1 (0.41) SLC6A3SLC6A2SLC6A4DHFRALDH1A1

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
EP-1042372-B1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE SPA (IT) 2004-07-14 EP claimed