SCHEMBL7605214

SCHEMBL7605214

CC(C(=O)OC1CCCCC1O)P(=O)(O)Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
ACE2 Q9BYF1 2/20 0.37
SLC18A3 Q16572 3/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
EPHX2 P34913 2/20 0.34
ENPP2 Q13822 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL17563242 0.71 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2TDP1MEN1KMT2A
SCHEMBL17563241 0.71 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2TDP1MEN1KMT2A
SCHEMBL17563460 0.71 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2TDP1MEN1KMT2A
SCHEMBL7607754 0.68 SLC6A3 (0.39) ALDH1A1TDP1
SCHEMBL10297360 0.68 GSR (0.41) ALDH1A1PKMMEN1KMT2A
SCHEMBL27721872 0.68 BCHE (0.61) ALDH1A1
SCHEMBL8443479 0.68 CTSS (0.53) EPHX2KMT2A
SCHEMBL16248467 0.67 GSR (0.43) ALDH1A1PKMMEN1KMT2A
SCHEMBL16248460 0.67 GSR (0.43) ALDH1A1PKMMEN1KMT2A
SCHEMBL1322055 0.66 SLC18A3 (0.56) SLC18A3MEN1KMT2A

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
JP-2002515040-A 2002-05-21 JP claimed
EP-0954295-A1 METHODS OF CANCER TREATMENT USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-11-10 EP claimed
WO-1997048409-A1 METHODS OF CANCER TREATMENT USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1997-12-24 WO claimed