SCHEMBL6627701

SCHEMBL6627701

CCCCN(C(=O)COC(=O)CC1CCCCC1)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.38
CASP6 P55212 1/20 0.37
KMT2A Q03164 2/20 0.36
PYGL P06737 1/20 0.36

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
SCHEMBL7310148 0.74 PYGL (0.43) L3MBTL1KMT2APYGL
SCHEMBL6627705 0.74 ADH1A (0.37) L3MBTL1
SCHEMBL22346246 0.74 SMN1; SMN2 (0.47) ALDH1A1L3MBTL1
SCHEMBL163813 0.74 SMN1; SMN2 (0.47) ALDH1A1L3MBTL1
SCHEMBL25311355 0.73 TDP1 (0.50) ALDH1A1L3MBTL1TDP1LMNAKMT2A
SCHEMBL26914635 0.73 TDP1 (0.50) ALDH1A1L3MBTL1TDP1LMNAKMT2A
Cyclohexane SCHEMBL28249403 0.73 TDP1 (0.50) ALDH1A1L3MBTL1TDP1LMNAKMT2A
SCHEMBL2779505 0.73 TDP1 (0.50) ALDH1A1L3MBTL1TDP1LMNAKMT2A
SCHEMBL9134377 0.73 TDP1 (0.50) ALDH1A1L3MBTL1TDP1LMNAKMT2A
SCHEMBL18797 0.73 TDP1 (0.50) ALDH1A1L3MBTL1TDP1LMNAKMT2A

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
EP-0986384-A4 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 2004-09-15 EP disclosed
EP-0986384-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 2000-03-22 EP disclosed
WO-1998050029-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-11-12 WO disclosed