SCHEMBL7919970

SCHEMBL7919970

CCC(C(=O)O)(c1ccc2ccccc2c1)C(C(C)(C)C)P(=O)(O)Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.42
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KCNH2 Q12809 1/20 0.37
PIN1 Q13526 1/20 0.36
KIF11 P52732 1/20 0.34
TPH1 P17752 1/20 0.34
PPARD Q03181 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL7929207 0.79 PTPN1 (0.41) PTPN1PPARGPPARA
SCHEMBL7931864 0.79 PTPN1 (0.44) PTPN1CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL7926749 0.76 PTPN1 (0.43) PTPN1CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL7931915 0.75 CETP (0.41) PTPN1CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL7610440 0.74 PTPN1 (0.46) PTPN1CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL7610504 0.72 PTPN1 (0.49) PTPN1CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL7604018 0.72 PTPN1 (0.48) PTPN1PIN1PPARG
SCHEMBL7608427 0.71 PTPN1 (0.45) PTPN1PIN1PPARG
SCHEMBL7611446 0.71 PTPN1 (0.45) PTPN1PIN1PPARGPPARA
SCHEMBL7604569 0.71 PTPN1 (0.47) PTPN1CYP3A4CYP2D6SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0994707-A4 INHIBITORS OF NAALADASE ENZYME ACTIVITY GUILFORD PHARM INC (US) 2001-11-14 EP claimed
EP-0994707-A1 INHIBITORS OF NAALADASE ENZYME ACTIVITY GUILFORD PHARMACEUTICALS INC. (US) 2000-04-26 EP claimed
WO-1998053812-A1 INHIBITORS OF NAALADASE ENZYME ACTIVITY GUILFORD PHARMACEUTICALS INC. (US) 1998-12-03 WO claimed
EP-0994707-A4 INHIBITORS OF NAALADASE ENZYME ACTIVITY GUILFORD PHARM INC (US) 2001-11-14 EP disclosed
EP-0994707-A1 INHIBITORS OF NAALADASE ENZYME ACTIVITY GUILFORD PHARMACEUTICALS INC. (US) 2000-04-26 EP disclosed
WO-1998053812-A1 INHIBITORS OF NAALADASE ENZYME ACTIVITY GUILFORD PHARMACEUTICALS INC. (US) 1998-12-03 WO disclosed