SCHEMBL7606709

SCHEMBL7606709

CCCCC(C)C(=O)OP(=O)(O)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CETP P11597 5/20 0.48
CNR2 P34972 2/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 2/20 0.41
CA2 P00918 1/20 0.41
CTSK P43235 4/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSH P09668 1/20 0.40
POLB P06746 2/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL7610590 0.92 CETP (0.43) CETPPOLBTSHR
SCHEMBL7609596 0.83 LAP3 (0.44) CETPALDH1A1CYP3A4TSHRMAPK1
SCHEMBL7605254 0.77 ACP3 (0.41) CETPTSHR
SCHEMBL27519157 0.77 CETP (0.42) CETPALDH1A1
SCHEMBL18859028 0.77 ALDH1A1 (0.54) CETPCNR2ALDH1A1CYP3A4CA2
SCHEMBL20841222 0.77 ALDH1A1 (0.54) CETPCNR2ALDH1A1CYP3A4CA2
SCHEMBL17625334 0.77 ALDH1A1 (0.54) CETPCNR2ALDH1A1CYP3A4CA2
SCHEMBL5051247 0.77 PTGES (0.49) CETPCNR2
SCHEMBL11488640 0.75 CETP (0.47) CETPCNR2CTSKCTSLCTSB
SCHEMBL7607704 0.74 MME (0.44) CTSLCTSB

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