SCHEMBL7608625

SCHEMBL7608625

O=C(O)Cc1c(OP(=O)(O)Cc2ccccc2)ccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 2/20 0.50
HPGD P15428 2/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
HSD17B10 Q99714 1/20 0.50
AKR1B1 P15121 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
NCEH1 Q6PIU2 3/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
NR1H4 Q96RI1 1/20 0.37
PRNP P04156 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ACP3 P15309 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL8459317 0.88 KMT2A (0.45) ALDH1A1NCEH1KMT2AMEN1L3MBTL1
SCHEMBL8058577 0.88 CYP1A2 (0.41) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL8456010 0.86 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL8460637 0.84 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDHSD17B10NCEH1
SCHEMBL8461387 0.82 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL7613495 0.77 NCEH1 (0.41) ALDH1A1GAAAKR1B1NCEH1KMT2A
SCHEMBL7604642 0.75 KDM4E (0.51) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL7611156 0.75 HTT (0.39) ALDH1A1GLAGAANCEH1KMT2A
SCHEMBL11000179 0.75 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDGLAGAA
Methane SCHEMBL8679956 0.74 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDGLAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002515040-A 2002-05-21 JP claimed
JP-2002514160-A 2002-05-14 JP claimed
JP-2002514184-A 2002-05-14 JP claimed
EP-1005348-A1 NAALADASE COMPOSITIONS AND METHODS FOR TREATING GLUTAMATE ABNORMALITY AND EFFECTING NEURONAL ACTIVITY IN ANIMALS GUILFORD PHARMACEUTICALS INC. (US) 2000-06-07 EP claimed
EP-0954295-A1 METHODS OF CANCER TREATMENT USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-11-10 EP claimed
EP-0936914-A1 HYDROXY-PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-08-25 EP claimed
EP-0936914-A4 1999-08-25 EP claimed
WO-1998013046-A1 NAALADASE COMPOSITIONS AND METHODS FOR TREATING GLUTAMATE ABNORMALITY AND EFFECTING NEURONAL ACTIVITY IN ANIMALS GUILFORD PHARMACEUTICALS INC. (US) 1998-04-02 WO claimed
WO-1997048400-A1 HYDROXY-PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1997-12-24 WO claimed
WO-1997048409-A1 METHODS OF CANCER TREATMENT USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1997-12-24 WO claimed
EP-1044206-A1 PRODRUGS OF NAALADASE INHIBITORS Guildford Pharmaceuticals Inc. (US) 2000-10-18 EP disclosed
EP-0949922-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATING COMPULSIVE DISORDERS USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-10-20 EP disclosed
EP-0936914-A4 1999-08-25 EP disclosed
EP-0936914-A1 HYDROXY-PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-08-25 EP disclosed
WO-1999033849-A1 PRODRUGS OF NAALADASE INHIBITORS GUILDFORD PHARMACEUTICALS INC. (US) 1999-07-08 WO disclosed
WO-1998013044-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATING COMPULSIVE DISORDERS USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1998-04-02 WO disclosed
WO-1997048400-A1 HYDROXY-PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1997-12-24 WO disclosed