SCHEMBL629251

SCHEMBL629251

COC(=O)c1ccc(CCC=O)cc1-c1ccccc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
SLC6A3 Q01959 5/20 0.39
SLC6A4 P31645 3/20 0.39
SLC6A2 P23975 1/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
FNTA P49354 4/20 0.39
FNTB P49356 4/20 0.39
NR4A2 P43354 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ROCK2 O75116 1/20 0.36
CSF1R P07333 1/20 0.36
KDR P35968 1/20 0.36
FLT3 P36888 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
CDK5 Q00535 1/20 0.36
ROCK1 Q13464 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
SCHEMBL6625716 0.84 SLC6A3 (0.43) KDM4EALDH1A1SLC6A3SLC6A4SLC6A2
SCHEMBL628441 0.84 FFAR1 (0.53) KDM4EFFAR1FFAR4
SCHEMBL628630 0.83 LOXL2 (0.50) KDM4EALDH1A1SLC6A3SLC6A4SLC6A2
SCHEMBL6624770 0.83 SLC6A3 (0.46) KDM4EALDH1A1SLC6A3SLC6A4SLC6A2
SCHEMBL630123 0.82 SLC6A3 (0.43) KDM4EALDH1A1SLC6A3SLC6A4SLC6A2
SCHEMBL6774395 0.82 SLC6A3 (0.44) KDM4EALDH1A1SLC6A3SLC6A4SLC6A2
SCHEMBL630057 0.81 MEN1 (0.46) KDM4EALDH1A1SLC6A3SLC6A4SLC6A2
SCHEMBL628950 0.81 SRD5A2 (0.48) KDM4EALDH1A1SLC6A3SLC6A4SLC6A2
SCHEMBL628506 0.79 PTPN1 (0.39) KDM4EALDH1A1SLC6A3SLC6A4SLC6A2
SCHEMBL10193312 0.78 ALDH1A1 (0.36) KDM4EALDH1A1SLC6A3SLC6A4SLC6A2

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