SCHEMBL7604547

SCHEMBL7604547

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 4/20 0.40
CTSG P08311 2/20 0.40
PTPN2 P17706 3/20 0.36
PTPN1 P18031 3/20 0.36
PTPN4 P29074 3/20 0.36
PTPN9 P43378 3/20 0.36
PTPN11 Q06124 3/20 0.36
CMA1 P23946 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
PPARG P37231 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL7609378 0.91 ACP3 (0.39) ACP3CTSGPTPN2PTPN1PTPN4
SCHEMBL7604389 0.89 TACR3 (0.39) ACP3CTSG
SCHEMBL7609396 0.88 CETP (0.40) ACP3CTSG
SCHEMBL7610424 0.86 CTSG (0.43) ACP3CTSGPTPN2PTPN1PTPN4
SCHEMBL7610507 0.80 AKR1C3 (0.39) PPARGAKR1C3AKR1C2
SCHEMBL7614365 0.75 KMT2A (0.41) ACP3CTSGPTPN2PTPN1PTPN4
SCHEMBL29272525 0.74 MEN1 (0.44) ALDH1A1KDM4EPPARGAKR1C3AKR1C2
SCHEMBL1669621 0.73 CNR2 (0.41) ALDH1A1KDM4EPPARGAKR1C3AKR1C2
SCHEMBL7609491 0.72 POLB (0.34) PTPN2PTPN1PTPN4PTPN9PTPN11
SCHEMBL447136 0.72 CYP2C9 (0.48) ACP3ALDH1A1PPARG

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