SCHEMBL7607704

SCHEMBL7607704

CC(Cc1ccc2ccccc2c1)C(=O)OP(=O)(O)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.44
ACE P12821 3/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
F2 P00734 1/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
PPARG P37231 3/20 0.41
PPARA Q07869 3/20 0.41
PIN1 Q13526 2/20 0.41
SIGMAR1 Q99720 1/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
MAOB P27338 1/20 0.40
TACR1 P25103 1/20 0.40
PPARD Q03181 2/20 0.40
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39

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
SCHEMBL7609596 0.87 LAP3 (0.44)
SCHEMBL7606735 0.81 AKR1C3 (0.43)
SCHEMBL5051302 0.78 PPARG (0.56) MMEACEPPARGPPARAPIN1
SCHEMBL6576929 0.77 PPARG (0.56) MMEACEHTR2AHTR2CHTR2B
SCHEMBL7610590 0.77 CETP (0.43)
SCHEMBL23257472 0.76 HTR2A (0.53) MMEACEHTR2AHTR2CHTR2B
SCHEMBL23015424 0.76 HTR2A (0.53) MMEACEHTR2AHTR2CHTR2B
SCHEMBL14032460 0.75 HTR2A (0.59) MMEACEHTR2AHTR2CHTR2B
SCHEMBL17679171 0.75 HTR2A (0.59) MMEACEHTR2AHTR2CHTR2B
SCHEMBL14945003 0.75 HTR2A (0.59) MMEACEHTR2AHTR2CHTR2B

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 3 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