SCHEMBL7604452

SCHEMBL7604452

CCCC(=O)Oc1ccsc1OP(=O)(O)Cc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CETP P11597 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
RECQL P46063 1/20 0.37
ALOX15 P16050 1/20 0.36
ABCB1 P08183 1/20 0.36
LMNA P02545 1/20 0.35
FOLH1 Q04609 1/20 0.34
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
AKR1C3 P42330 1/20 0.33
SRC P12931 1/20 0.33
TSHR P16473 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
SCHEMBL7608675 0.91 CETP (0.36) CETPMEN1KMT2AALOX15ABCB1
SCHEMBL8061143 0.79 CETP (0.36) CETPMEN1KMT2AKDM4ERECQL
SCHEMBL7609236 0.76 CETP (0.36) CETPFOLH1TSHR
SCHEMBL7610496 0.75 CETP (0.35) CETPMEN1KMT2ALMNAFOLH1
SCHEMBL7605209 0.75 PTGS1 (0.36) CETPMEN1KMT2AKDM4EALOX15
SCHEMBL7609331 0.73 AKR1B1 (0.39) CETPKMT2AALOX15TSHR
SCHEMBL9312497 0.67 KMT2A (0.59) MEN1KMT2AKDM4ERECQLALOX15
SCHEMBL7650534 0.66 ELANE (0.40) CETPMEN1KMT2ARECQLLMNA
SCHEMBL19094074 0.66 CETP (0.41) CETPMEN1KMT2AKDM4EMAPT
SCHEMBL28217135 0.66 PTK2B (0.50) MEN1KMT2AKDM4ERECQLALOX15

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