SCHEMBL628815

SCHEMBL628815

CCCS(=O)(=O)NCCC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
REN P00797 2/20 0.41
SIGMAR1 Q99720 2/20 0.38
EPHX1 P07099 2/20 0.38
BCHE P06276 2/20 0.37
CA2 P00918 1/20 0.36
TLR7 Q9NYK1 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
HPGD P15428 1/20 0.33
BMP1 P13497 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL6565161 0.91 PSEN1 (0.35) RENCA2PSEN1PSEN2APH1B
SCHEMBL1834640 0.87 CYP1A2 (0.47) CYP1A2RENSIGMAR1EPHX1BCHE
SCHEMBL14919709 0.85 EPHX1 (0.38) CYP1A2RENSIGMAR1EPHX1CA2
SCHEMBL8397068 0.81 CYP1A2 (0.35) CYP1A2RENSIGMAR1EPHX1BCHE
SCHEMBL4445149 0.80 EPHX1 (0.35) RENSIGMAR1EPHX1CA2HPGD
SCHEMBL6564732 0.80 RELA (0.38) CYP1A2RENEPHX1CA2PSEN1
SCHEMBL628897 0.79 SIGMAR1 (0.36) CYP1A2RENSIGMAR1EPHX1BCHE
SCHEMBL8392312 0.77 SIGMAR1 (0.42) CYP1A2SIGMAR1EPHX1BCHECA2
SCHEMBL8397033 0.77 SIGMAR1 (0.42) CYP1A2SIGMAR1EPHX1BCHECA2
SCHEMBL628520 0.77 SIGMAR1 (0.34) CYP1A2RENSIGMAR1EPHX1CA2

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 6 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-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