SCHEMBL6037832

SCHEMBL6037832

CCC(C1CCCO1)P(=O)(O)c1cccc(C(C)C(=O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
SLC6A3 Q01959 2/20 0.38
HPGD P15428 4/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.36
BRD4 O60885 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
ALDH1A1 P00352 4/20 0.36
PTGS1 P23219 4/20 0.36
PTGS2 P35354 3/20 0.36
MAPT P10636 2/20 0.36
CXCR1 P25024 2/20 0.36
CXCR2 P25025 2/20 0.36
KDM4E B2RXH2 2/20 0.36
RECQL P46063 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
PMP22 Q01453 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
SCHEMBL6037774 0.87 PTGS1 (0.41) SLC6A3HPGDMEN1KMT2AGAA
SCHEMBL6037805 0.78 HPGD (0.44) TDP1HPGDGAASMN1; SMN2ALDH1A1
SCHEMBL5054408 0.74 TDP1 (0.46) TDP1SLC6A3HPGDMEN1KMT2A
SCHEMBL5051228 0.73 TDP1 (0.46) TDP1SLC6A3HPGDMEN1KMT2A
SCHEMBL5052976 0.73 SLC6A3 (0.45) TDP1SLC6A3HPGDMEN1KMT2A
SCHEMBL8164849 0.69 TDP1 (0.40) TDP1SLC6A3HPGDMEN1KMT2A
SCHEMBL5054292 0.69 TDP1 (0.39) TDP1SLC6A3HPGDMEN1KMT2A
SCHEMBL5059792 0.67 HPGD (0.45) TDP1SLC6A3HPGDMEN1KMT2A
SCHEMBL6037830 0.66 PTGS2 (0.47) HPGDMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5054583 0.65 SLC6A3 (0.47) TDP1SLC6A3HPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6413948-B1 CENTRAL NERVOUS SYSTEM DISORDERS GUILFORD PHARMACEUTICALS INC. 2002-07-02 US claimed
JP-2002515040-A 2002-05-21 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
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-1997048409-A1 METHODS OF CANCER TREATMENT USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1997-12-24 WO claimed
WO-2006093991-A1 COMPOUNDS WHICH BIND PSMA AND USES THEREOF THE CLEVELAND CLINIC FOUNDATION (US) 2006-09-08 WO disclosed
US-6413948-B1 CENTRAL NERVOUS SYSTEM DISORDERS GUILFORD PHARMACEUTICALS INC. 2002-07-02 US disclosed
US-6384022-B1 ENZYME INHIBITORS GUILFORD PHARMACEUTICALS INC. 2002-05-07 US disclosed
US-6011021-A GLUTAMATE-DERIVED HYDROXYPHOSPHINYL DERIVATIVE. GUILFORD PHARMACEUTICALS INC. (US) 2000-01-04 US disclosed
US-5977090-A Pharmaceutical compositions and methods of treating compulsive disorders using NAALADase inhibitors GUILFORD PHARMACEUTICALS INC. (US) 1999-11-02 US disclosed