SCHEMBL13866658

SCHEMBL13866658

C=C(Cl)c1ccccc1OCC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.53
ALDH1A1 P00352 4/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MAPT P10636 4/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 2/20 0.46
MAPK1 P28482 2/20 0.46
GLA P06280 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 3/20 0.44
HTT P42858 1/20 0.44
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
KCNMA1 Q12791 1/20 0.43

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
SCHEMBL4952648 0.82 HCRTR1 (0.54) HCRTR1ALDH1A1HPGDHSD17B10MAPT
SCHEMBL17239097 0.81 HCRTR1 (0.53) HCRTR1ALDH1A1HPGDHSD17B10MAPT
SCHEMBL990 0.81 HCRTR1 (0.62) HCRTR1ALDH1A1HPGDHSD17B10MAPT
Ammonia Solution, Strong SCHEMBL8638675 0.81 HCRTR1 (0.53) HCRTR1ALDH1A1HPGDHSD17B10MAPT
SCHEMBL2490797 0.79 HCRTR1 (0.59) HCRTR1ALDH1A1HPGDHSD17B10MAPT
SCHEMBL335970 0.78 LMNA (0.71) HCRTR1ALDH1A1HPGDHSD17B10MAPT
SCHEMBL30292656 0.78 LMNA (0.71) HCRTR1ALDH1A1HPGDHSD17B10MAPT
SCHEMBL2124599 0.78 HCRTR1 (0.50) HCRTR1ALDH1A1HPGDHSD17B10MAPT
SCHEMBL2124597 0.78 HCRTR1 (0.50) HCRTR1ALDH1A1HPGDHSD17B10MAPT
SCHEMBL16933973 0.78 CA1 (0.50) LMNAHTTTP53TSHRSMN1; SMN2

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-7517895-B2 Synthetic diazonamides BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-04-14 US disclosed