SCHEMBL628897

SCHEMBL628897

O=S(=O)(CCCCl)NCCC1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.36
EPHX1 P07099 1/20 0.36
CA2 P00918 1/20 0.35
REN P00797 2/20 0.34
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.31
BCHE P06276 1/20 0.30

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
SCHEMBL14919709 0.82 EPHX1 (0.38) SIGMAR1EPHX1CA2RENCYP1A2
SCHEMBL1834640 0.81 CYP1A2 (0.47) SIGMAR1EPHX1RENCYP1A2BCHE
SCHEMBL628520 0.81 SIGMAR1 (0.34) SIGMAR1EPHX1CA2RENCYP1A2
SCHEMBL12077107 0.81 SIGMAR1 (0.53) SIGMAR1CA2REN
SCHEMBL628815 0.79 CYP1A2 (0.44) SIGMAR1EPHX1CA2RENCYP1A2
SCHEMBL4445149 0.77 EPHX1 (0.35) SIGMAR1EPHX1CA2RENHPGD
SCHEMBL8397068 0.71 CYP1A2 (0.35) SIGMAR1EPHX1CA2RENCYP1A2
SCHEMBL8392312 0.71 SIGMAR1 (0.42) SIGMAR1EPHX1CA2CYP1A2HPGD
SCHEMBL8397033 0.71 SIGMAR1 (0.42) SIGMAR1EPHX1CA2CYP1A2HPGD
SCHEMBL4443535 0.70 ACLY (0.35) SIGMAR1EPHX1CA2RENHPGD

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