SCHEMBL7609596

SCHEMBL7609596

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 5/20 0.44
HPGD P15428 1/20 0.44
CYP3A4 P08684 3/20 0.43
TSHR P16473 1/20 0.43
ANPEP P15144 2/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 2/20 0.42
ALDH1A1 P00352 2/20 0.42
THRB P10828 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ACP3 P15309 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 1/20 0.40
CETP P11597 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
SCHEMBL7607704 0.87 MME (0.44)
SCHEMBL7610590 0.85 CETP (0.43) HPGDTSHRNPC1RAB9AMEN1
SCHEMBL7606709 0.83 CETP (0.48) CYP3A4TSHRMAPK1ALDH1A1CETP
SCHEMBL7605254 0.82 ACP3 (0.41) HPGDTSHRACP3MEN1KMT2A
SCHEMBL27519157 0.79 CETP (0.42) LAP3HPGDHSD17B10ALDH1A1CYP1A2
SCHEMBL28294425 0.77 HPGD (0.51) HPGDCYP3A4TSHRMAPK1HSD17B10
SCHEMBL18300625 0.76 HSD17B10 (0.50) HPGDCYP3A4TSHRMAPK1HSD17B10
SCHEMBL2600694 0.75 ALDH1A1 (0.60) HPGDCYP3A4TSHRANPEPMAPK1
SCHEMBL17761604 0.75 ALDH1A1 (0.60) HPGDCYP3A4TSHRANPEPMAPK1
SCHEMBL517463 0.75 ALDH1A1 (0.60) HPGDCYP3A4TSHRANPEPMAPK1

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