SCHEMBL7604545

SCHEMBL7604545

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 6/20 0.46
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GSK3B P49841 1/20 0.38
MMP8 P22894 2/20 0.38
MMP1 P03956 2/20 0.37
PTPRC P08575 1/20 0.36
MMP3 P08254 2/20 0.36
MMP13 P45452 2/20 0.36
MMP2 P08253 2/20 0.36
MMP12 P39900 1/20 0.36
KIF11 P52732 1/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 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
SCHEMBL7609376 0.84 ACP3 (0.43) ACP3KDM4EALDH1A1HSD17B10GSK3B
SCHEMBL7606670 0.82 DHPS (0.38) MMP8MMP1MMP3MMP13MMP2
SCHEMBL7604385 0.82 ACP3 (0.41) ACP3KDM4EALDH1A1HSD17B10GSK3B
SCHEMBL7609392 0.81 ACP3 (0.41) ACP3KDM4EALDH1A1HSD17B10MMP1
SCHEMBL7609416 0.79 SLC6A2 (0.41) KDM4EALDH1A1HSD17B10
SCHEMBL7607484 0.78 ACP3 (0.45) ACP3KDM4EALDH1A1HSD17B10GSK3B
SCHEMBL7613491 0.77 ACP3 (0.44) ACP3KDM4EALDH1A1HSD17B10MMP8
SCHEMBL7610504 0.76 PTPN1 (0.49) KDM4EMMP1KIF11
SCHEMBL7926707 0.74 ACP3 (0.41) ACP3KDM4EALDH1A1HSD17B10GSK3B
SCHEMBL7610568 0.73 IDO1 (0.42) KDM4EALDH1A1HSD17B10

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