SCHEMBL628505

SCHEMBL628505

COC(=O)c1ccc(C(C)C(=O)OC(C)(C)C)cc1-c1ccccc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.43
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
SLC6A3 Q01959 4/20 0.37
SLC6A4 P31645 3/20 0.37
SLC6A2 P23975 1/20 0.37
MT-CO2 P00403 1/20 0.37
MAPT P10636 2/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
MITF O75030 1/20 0.36
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
BDKRB1 P46663 1/20 0.35
NR4A2 P43354 1/20 0.34
TACR3 P29371 1/20 0.34

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
SCHEMBL6772428 0.76 BRD9 (0.43) TSHR
SCHEMBL628506 0.74 PTPN1 (0.39) SLC6A3SLC6A4SLC6A2NPSR1
SCHEMBL2267132 0.73 SLC6A3 (0.51) SLC6A3SLC6A4SLC6A2MAPTMITF
SCHEMBL22256464 0.73 MAPT (0.47) SLC6A3SLC6A4SLC6A2MAPTMITF
SCHEMBL7570354 0.73 KDM4E (0.53) SLC6A3SLC6A4SLC6A2MAPTTSHR
SCHEMBL27597934 0.72 ADRB2 (0.38) SLC6A3SLC6A4SLC6A2ADRB2ADRB1
SCHEMBL29214272 0.72 PTGS1 (0.56) APPMAPTPTGS1PTGS2TSHR
SCHEMBL26109224 0.72 KDM4E (0.40) MAPTADRB2ADRB1ADRB3KMT2A
SCHEMBL9549 0.72 SLC6A3 (0.57) SLC6A3SLC6A4SLC6A2MAPTNR4A2
SCHEMBL628811 0.72 SLC6A3 (0.46) SLC6A3SLC6A4SLC6A2MAPTMITF

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-B1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 2012-02-22 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
US-6221865-B1 INHIBITORS OF PROTEIN FARNESYLTRANSFERASE AND PROTEIN GERANYLGERANYLTRANSFERASE. UNIVERSITY OF PITTSBURGH 2001-04-24 US disclosed