SCHEMBL7609378

SCHEMBL7609378

CCCC(C(=O)O)c1cc(P(=O)(O)Cc2ccccc2)cc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 2/20 0.39
CTSG P08311 1/20 0.39
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 1/20 0.35
CMA1 P23946 1/20 0.35
CETP P11597 3/20 0.34
PTPN2 P17706 2/20 0.34
PTPN1 P18031 2/20 0.34
PTPN4 P29074 2/20 0.34
PTPN9 P43378 2/20 0.34
PTPN11 Q06124 2/20 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
SCHEMBL7604389 0.93 TACR3 (0.39) ACP3CTSGCETP
SCHEMBL7609396 0.92 CETP (0.40) ACP3CTSGCETP
SCHEMBL7604547 0.91 ACP3 (0.40) ACP3CTSGPPARGKDM4EALDH1A1
SCHEMBL7610424 0.84 CTSG (0.43) ACP3CTSGCMA1PTPN2PTPN1
SCHEMBL7610445 0.82 PPARG (0.41) PPARGPPARAALDH1A1CETP
SCHEMBL7614365 0.76 KMT2A (0.41) ACP3CTSGKDM4EALDH1A1PTPN2
SCHEMBL7607401 0.75 CNR2 (0.40) PPARGPPARACETP
SCHEMBL7609846 0.74 CNR2 (0.41) PPARGPPARACETP
SCHEMBL5638282 0.74 CYP2C9 (0.46) ACP3PPARGPPARAALDH1A1CMA1
SCHEMBL7611820 0.74 MMP1 (0.35) KDM4EALDH1A1HSD17B10CETP

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 5 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
WO-1997048409-A1 METHODS OF CANCER TREATMENT USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1997-12-24 WO disclosed