SCHEMBL8520350

SCHEMBL8520350

C=CCC(CCCC)Nc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HDAC8 Q9BY41 7/20 0.37
▸ HDAC3 O15379 5/20 0.37
▸ HDAC6 Q9UBN7 5/20 0.37
▸ HDAC1 Q13547 4/20 0.37
▸ HDAC2 Q92769 4/20 0.37
▸ HDAC4 P56524 2/20 0.37
▸ HDAC7 Q8WUI4 2/20 0.37
▸ HDAC10 Q969S8 2/20 0.37
▸ HDAC11 Q96DB2 2/20 0.37
▸ HDAC9 Q9UKV0 2/20 0.37
▸ HDAC5 Q9UQL6 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ HSD17B10 Q99714 2/20 0.37

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
SCHEMBL1453954 0.85 ENPP2 (0.40) ENPP2ALDH1A1MAPTMEN1MAPK1
SCHEMBL8436767 0.84 ALDH1A1 (0.45) ENPP2ALDH1A1MAPTMEN1MAPK1
SCHEMBL22105323 0.83 TDP1 (0.42) ALDH1A1MAPTMEN1MAPK1KMT2A
SCHEMBL29409777 0.82 ALDH1A1 (0.45) ALDH1A1MAPTMAPK1SMN1; SMN2TDP1
SCHEMBL25124425 0.81 ENPP2 (0.43) ENPP2ALDH1A1MAPTMEN1MAPK1
SCHEMBL6923800 0.81 CACNA2D1 (0.44) ENPP2ALDH1A1MAPTMEN1MAPK1
SCHEMBL10633066 0.80 HDAC8 (0.43) ENPP2ALDH1A1MAPTMEN1MAPK1
SCHEMBL11045235 0.80 TDP1 (0.42) ENPP2ALDH1A1MAPTMEN1MAPK1
SCHEMBL18896255 0.79 TDP1 (0.45) ENPP2ALDH1A1MAPTMEN1MAPK1
SCHEMBL20655979 0.78 HDAC8 (0.43) ALDH1A1MAPTMEN1MAPK1KMT2A

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-5986137-A CATALYTIC ALLYLATION OF AROMATIC ALCOHOLS OR AMINES RHODIA CHIMIE (FR) 1999-11-16 — — US claimed
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