SCHEMBL7609843

SCHEMBL7609843

CC(C(=O)O)c1ccncc1P(=O)(O)Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
TBXAS1 P24557 2/20 0.38
LMNA P02545 2/20 0.38
FDPS P14324 3/20 0.37
ANPEP P15144 2/20 0.36
ERAP2 Q6P179 2/20 0.36
ERAP1 Q9NZ08 2/20 0.36
BTN3A1 O00481 1/20 0.36
PDE3A Q14432 1/20 0.36
KDM4E B2RXH2 1/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP3A4 P08684 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL7610494 0.85 GAA (0.38) ALDH1A1TSHRTBXAS1LMNAFDPS
SCHEMBL7614446 0.78 TBXAS1 (0.40) ALDH1A1TSHRTBXAS1LMNAANPEP
SCHEMBL8460361 0.76 MEN1 (0.38) MEN1KMT2A
SCHEMBL7609653 0.76 PTGS2 (0.36) ALDH1A1FDPSANPEPERAP2MEN1
SCHEMBL7609311 0.75 KMT2A (0.36) TSHRRAB9AMEN1NPC1KMT2A
SCHEMBL7604589 0.71 ALOX15 (0.37) ALDH1A1TSHRLMNAKDM4EMEN1
SCHEMBL7604439 0.71 MAPT (0.36) ALDH1A1TSHRKDM4EMEN1KMT2A
SCHEMBL7610424 0.68 CTSG (0.43)
SCHEMBL28250517 0.68 PTGS2 (0.43) ALDH1A1LMNAKDM4EKMT2ASMN1; SMN2
SCHEMBL5058014 0.68 ERAP2 (0.48) ALDH1A1TBXAS1ANPEPERAP2ERAP1

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 8 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
EP-0954295-A1 METHODS OF CANCER TREATMENT USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-11-10 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-1997048400-A1 HYDROXY-PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1997-12-24 WO disclosed
WO-1997048409-A1 METHODS OF CANCER TREATMENT USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1997-12-24 WO disclosed