SCHEMBL7609376

SCHEMBL7609376

CCC(CP(=O)(O)Cc1ccccc1)(C(=O)O)c1cccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 5/20 0.43
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GSK3B P49841 1/20 0.36
MMP8 P22894 1/20 0.36
RIPK1 Q13546 1/20 0.35
MMP1 P03956 3/20 0.35
PTPRC P08575 1/20 0.34
MMP3 P08254 1/20 0.34
MMP13 P45452 1/20 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
SCHEMBL7604385 0.91 ACP3 (0.41) ACP3KDM4EALDH1A1HSD17B10GSK3B
SCHEMBL7609392 0.90 ACP3 (0.41) ACP3KDM4EALDH1A1HSD17B10MMP1
SCHEMBL7604545 0.84 ACP3 (0.46) ACP3PPARGPPARAKDM4EALDH1A1
Nafcaproic Acid SCHEMBL2109457 0.81 ACP3 (0.45) ACP3PPARGPPARAKDM4EALDH1A1
SCHEMBL7603971 0.80 SLC6A2 (0.39) KDM4EALDH1A1HSD17B10
SCHEMBL7610440 0.78 PTPN1 (0.46) KDM4EMMP1
SCHEMBL8060087 0.75 IDO1 (0.40) KDM4EALDH1A1HSD17B10
SCHEMBL7607484 0.75 ACP3 (0.45) ACP3PPARGPPARAKDM4EALDH1A1
SCHEMBL7609446 0.75 ACP3 (0.42) ACP3PPARGPPARAKDM4EALDH1A1
SCHEMBL7611154 0.75 ACP3 (0.42) ACP3PPARGPPARAKDM4EALDH1A1

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