SCHEMBL11208336

SCHEMBL11208336

CCCCCCCCCCCCCCC=CCC1CNC(CCCCO)=N1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.37
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.36
LMNA P02545 2/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL611384 0.93 ALDH1A1 (0.37) EPHX2ALDH1A1TSHRLMNAHSD17B10
SCHEMBL9098243 0.86 EPHX2 (0.38) EPHX2LMNAHSD17B10
SCHEMBL7158875 0.86 EPHX2 (0.38) EPHX2LMNAHSD17B10
SCHEMBL8031341 0.85 MMP2 (0.36) EPHX2LMNAHSD17B10
SCHEMBL8721243 0.83 EPHX2 (0.38) EPHX2ALDH1A1TSHRLMNAHSD17B10
SCHEMBL217509 0.83 EPHX2 (0.35) EPHX2LMNAHSD17B10
SCHEMBL7778391 0.82 LMNA (0.39) ALDH1A1TSHRLMNAHSD17B10MEN1
SCHEMBL5176999 0.81 ALDH1A1 (0.40) ALDH1A1TSHRLMNAHSD17B10MEN1
SCHEMBL4631138 0.79 GBA1 (0.35) ALDH1A1TSHRLMNAHSD17B10MEN1
SCHEMBL9184068 0.79 GBA1 (0.35) ALDH1A1TSHRLMNAHSD17B10MEN1

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-0074724-A2 Acylated imidazolines and fuel and lubricant compositions thereof The Lubrizol Corporation (US) 1983-03-23 EP disclosed