SCHEMBL8668620

SCHEMBL8668620

COC=C(C(=O)OCON=C(C)c1noc2ccccc12)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HIF1A Q16665 14/20 0.39
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL8666037 0.89 HIF1A (0.36) LMNAMAPK1HTTL3MBTL1HIF1A
SCHEMBL8665232 0.89 SMN1; SMN2 (0.39) LMNAMAPK1HTTL3MBTL1HIF1A
SCHEMBL8664803 0.81 ALDH1A1 (0.33) ALDH1A1
SCHEMBL9056021 0.77 HIF1A (0.38) HIF1A
SCHEMBL9056852 0.68 HIF1A (0.37) HIF1A
SCHEMBL9056334 0.68 HIF1A (0.37) HTTHIF1AMAPTSMN1; SMN2HPGD
SCHEMBL5441258 0.67 ALDH1A1 (0.53) LMNAMAPK1L3MBTL1MAPTSMN1; SMN2
SCHEMBL28379077 0.67 KMT2A (0.44) LMNAL3MBTL1MAPTSMN1; SMN2ALDH1A1
SCHEMBL5441256 0.67 ALDH1A1 (0.53) LMNAMAPK1L3MBTL1MAPTSMN1; SMN2
SCHEMBL28943651 0.65 SMN1; SMN2 (0.45) LMNAMAPK1L3MBTL1HIF1AMAPT

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-5786374-A FUNGICIDES, MICROBIOCIDES NOVARTIS CORPORATION (US) 1998-07-28 US claimed