SCHEMBL14406489

SCHEMBL14406489

CCCCC(CC)COc1ccc(C(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
HSD17B10 Q99714 2/20 0.51
CYP3A4 P08684 4/20 0.42
ALDH1A1 P00352 3/20 0.42
CA2 P00918 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
APP P05067 1/20 0.40
HTT P42858 1/20 0.39
HIF1A Q16665 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
EPHX2 P34913 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL13322023 0.93 LMNA (0.46) LMNAHSD17B10CYP3A4ALDH1A1CA2
SCHEMBL1356320 0.88 ALDH1A1 (0.50) LMNAHSD17B10CYP3A4ALDH1A1CA2
SCHEMBL1357035 0.88 ALDH1A1 (0.50) LMNAHSD17B10CYP3A4ALDH1A1CA2
SCHEMBL13080938 0.88 HRH3 (0.45) CYP3A4ALDH1A1CA2MAPTHRH3
SCHEMBL13354068 0.87 LMNA (0.42) LMNAHSD17B10CYP3A4ALDH1A1CA2
SCHEMBL20357876 0.83 CYP3A4 (0.47) LMNAHSD17B10CYP3A4ALDH1A1CA2
SCHEMBL1822785 0.82 TDP1 (0.56) LMNAHSD17B10CYP3A4ALDH1A1CA2
SCHEMBL762244 0.82 CYP3A4 (0.45) LMNAHSD17B10CYP3A4ALDH1A1CA2
SCHEMBL13053119 0.82 ALDH1A1 (0.45) LMNAHSD17B10CYP3A4ALDH1A1CA2
SCHEMBL11236714 0.81 LMNA (0.38) LMNAHSD17B10CYP3A4ALDH1A1CA2

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
EP-2224790-B1 Light emitting element and azole compound UDC IRELAND LTD (IE) 2013-01-02 EP disclosed