SCHEMBL628883

SCHEMBL628883

CCSCCCCCNC(=O)OC(C)(C)C

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.63
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
GAA P10253 1/20 0.51
CA12 O43570 6/20 0.51
CA1 P00915 6/20 0.51
CA2 P00918 6/20 0.51
CA9 Q16790 6/20 0.51
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
EPHX1 P07099 1/20 0.43
HTT P42858 1/20 0.42
CYP3A4 P08684 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
DRD2 P14416 2/20 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
SCHEMBL5209522 0.86 TDP1 (0.51) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL10953493 0.86 TDP1 (0.71) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL22497753 0.84 TDP1 (0.59) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL19025041 0.84 TDP1 (0.59) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL19037264 0.84 TDP1 (0.59) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL137629 0.84 TDP1 (0.85) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL5162656 0.84 TDP1 (0.85) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL136815 0.84 TDP1 (0.85) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL343629 0.84 TDP1 (0.85) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL3025184 0.84 TDP1 (0.85) TDP1MAOAMAOBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0986384-B1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 2012-02-22 EP disclosed
EP-0986384-A4 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 2004-09-15 EP disclosed
US-6310095-B1 INHIBITING OR TREATING CANCER, TREATING INTIMAL HYPERPLASIA ASSOCIATED WITH RESTENOSIS AND ATHEROSCLEROSIS, INHIBITING POST-TRANSLATIONAL MODIFICATION OF ONCOGENIC RAS PROTEIN BY PROTEIN FARNESYLTRANSFERASE AND/OR GERANYLGERANYLTRANSFERASE UNIVERSITY OF PITTSBURGH 2001-10-30 US 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