SCHEMBL8046802

SCHEMBL8046802

CCC(COC(C)=O)(OP(=O)(O)Cc1ccccc1)c1cccc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 5/20 0.39
ALDH1A1 P00352 2/20 0.36
CTSG P08311 1/20 0.33
CETP P11597 3/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
HPGD P15428 1/20 0.33
PPID Q08752 1/20 0.32
CDC25B P30305 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL8061548 0.87 ACP3 (0.41) ACP3ALDH1A1CTSG
SCHEMBL5053316 0.85 ACP3 (0.39) ACP3ALDH1A1CETPPPARGPPARA
SCHEMBL8059211 0.80 PTPN1 (0.41) ALDH1A1CETPPPARGPPARAMEN1
SCHEMBL7611154 0.80 ACP3 (0.42) ACP3ALDH1A1CETPPPARGPPARA
SCHEMBL7608720 0.79 ACP3 (0.41) ACP3ALDH1A1CETPPPARGPPARA
SCHEMBL7613491 0.77 ACP3 (0.44) ACP3ALDH1A1PPARGPPARA
SCHEMBL8046097 0.76 ACP3 (0.39) ACP3ALDH1A1CTSGPPARGPPARA
SCHEMBL7605240 0.76 ACP3 (0.41) ACP3ALDH1A1CTSGCETPPPARG
SCHEMBL8048511 0.76 ACP3 (0.42) ACP3ALDH1A1HPGD
SCHEMBL7608436 0.74 CETP (0.40) ACP3CETP

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6046180-A NAALADase inhibitors GUILFORD PHARMACEUTICALS INC. (US) 2000-04-04 US disclosed