SCHEMBL3356282

SCHEMBL3356282

COC(=O)CC(c1ccccc1)c1ccccc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
KCNQ2 O43526 1/20 0.46
KCNA5 P22460 7/20 0.44
HTT P42858 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
HPGD P15428 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TACR3 P29371 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.41
FGFR1 P11362 1/20 0.40
SRC P12931 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR4 P22455 1/20 0.40
FGFR3 P22607 1/20 0.40

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
SCHEMBL8695732 0.82 KCNA5 (0.44) MAPTKCNA5LMNAHPGDALDH1A1
SCHEMBL2347309 0.82 HPGD (0.57) MAPTKCNA5LMNAHPGDALDH1A1
SCHEMBL3358300 0.81 HPGD (0.50) MAPTKCNA5HTTLMNAHPGD
SCHEMBL6385668 0.77 PTPN1 (0.42) MAPTHTTL3MBTL1LMNAMAPK1
SCHEMBL3358387 0.77 CTSA (0.49) MAPTKCNA5MAPK1HPGDALDH1A1
SCHEMBL2789512 0.74 KMT2A (0.54) MAPTHTTL3MBTL1LMNAMAPK1
SCHEMBL15098509 0.74 SMN1; SMN2 (0.54) KCNA5L3MBTL1HPGDALDH1A1KMT2A
SCHEMBL1561404 0.74 SMN1; SMN2 (0.54) KCNA5L3MBTL1HPGDALDH1A1KMT2A
SCHEMBL1561401 0.74 SMN1; SMN2 (0.54) KCNA5L3MBTL1HPGDALDH1A1KMT2A
SCHEMBL9223082 0.74 ALDH1A1 (0.52) MAPTHTTL3MBTL1LMNAMAPK1

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