SCHEMBL7608675

SCHEMBL7608675

CCC(=O)Oc1ccsc1OP(=O)(O)Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CETP P11597 3/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
ELANE P08246 1/20 0.35
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 2/20 0.34
ALOX15 P16050 1/20 0.34
SRC P12931 1/20 0.34
ABCB1 P08183 1/20 0.33
MAPT P10636 1/20 0.33
PAX8 Q06710 1/20 0.33
FOLH1 Q04609 1/20 0.33

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
SCHEMBL7604452 0.91 CETP (0.37) CETPLMNAKMT2AMEN1GAA
SCHEMBL7610496 0.77 CETP (0.35) CETPLMNAKMT2AALDH1A1MEN1
SCHEMBL7605209 0.77 PTGS1 (0.36) CETPKMT2AMEN1TSHRALOX15
SCHEMBL7609236 0.75 CETP (0.36) CETPTSHRFOLH1
SCHEMBL7650534 0.75 ELANE (0.40) CETPLMNAHTTRAB9AELANE
SCHEMBL7609331 0.74 AKR1B1 (0.39) CETPKMT2ATSHRALOX15
SCHEMBL8061143 0.68 CETP (0.36) CETPLMNARAB9AKMT2AALDH1A1
SCHEMBL19094074 0.67 CETP (0.41) CETPHTTKMT2AALDH1A1MEN1
Propionic Acid SCHEMBL28574297 0.67 CETP (0.62) CETPRAB9AKMT2AALDH1A1GAA
SCHEMBL29220005 0.66 ACHE (0.45) LMNAHTTELANEKMT2AALDH1A1

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