SCHEMBL3358387

SCHEMBL3358387

COC(=O)CC(c1ccccc1)c1cccc(-c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 6/20 0.49
HPGD P15428 1/20 0.47
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
CTSL P07711 1/20 0.45
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
CASR P41180 1/20 0.45
TACR1 P25103 1/20 0.45
KCNA5 P22460 1/20 0.45
TACR3 P29371 1/20 0.44
MAPT P10636 3/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MTNR1A P48039 1/20 0.44

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
SCHEMBL3358300 0.89 HPGD (0.50) HPGDKCNA5MAPTPOLBALDH1A1
SCHEMBL2347309 0.87 HPGD (0.57) HPGDTACR1KCNA5MAPTPOLB
SCHEMBL24661003 0.83 KCNA5 (0.52) CTSAHPGDTACR1KCNA5MAPT
SCHEMBL6306108 0.83 MTNR1A (0.63) CASRTACR1MTNR1AMTNR1B
SCHEMBL9444890 0.79 SLC6A3 (0.48) HPGDALDH1A1
SCHEMBL29174146 0.78 MAPT (0.50) HPGDTACR1KCNA5MAPTPOLB
SCHEMBL1429119 0.78 KMT2A (0.60) HPGDCASRTACR1ALDH1A1MEN1
SCHEMBL3356282 0.77 MAPT (0.46) HPGDKCNA5TACR3MAPTPOLB
SCHEMBL29174151 0.76 MEN1 (0.49) HPGDTACR1KCNA5MEN1KMT2A
SCHEMBL28677834 0.75 KCNA5 (0.52) HPGDKCNA5MAPTPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687482-B2 Bisphosphonate compounds and methods THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-03-30 US disclosed