SCHEMBL4776003

SCHEMBL4776003

O=C(c1cccc(O)c1)[C@@H]1CCCCN1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 7/20 0.48
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA6 P23280 1/20 0.44
CA9 Q16790 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 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
SCHEMBL5172182 0.85 MCL1 (0.46) ALDH1A1
SCHEMBL3088285 0.85 MCL1 (0.46) ALDH1A1
SCHEMBL3518713 0.85 HPGD (0.51) ALDH1A1
SCHEMBL3518717 0.85 HPGD (0.51) ALDH1A1
SCHEMBL5339926 0.85 TDP1 (0.48)
SCHEMBL3515035 0.85 MGLL (0.43) MGLL
SCHEMBL3515032 0.85 MGLL (0.43) MGLL
SCHEMBL4779559 0.82 HPGD (0.44) MGLLCA2ALDH1A1MAPT
SCHEMBL4776118 0.82 KDM2B (0.51) MGLLALDH1A1
SCHEMBL3515528 0.82 LMNA (0.53) MGLLALDH1A1

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
WO-2008018639-A2 GLYCINE TRANSPORTER INHIBITOR TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-02-14 WO disclosed