SCHEMBL9848377

SCHEMBL9848377

N#CC(NC(=O)CCCCCBr)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 2/20 0.45
ALDH1A1 P00352 1/20 0.45
ACER2 Q5QJU3 1/20 0.45
HDAC8 Q9BY41 6/20 0.43
HDAC1 Q13547 5/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC3 O15379 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
CERT1 Q9Y5P4 3/20 0.41
UGCG Q16739 1/20 0.40
MEN1 O00255 1/20 0.40
GMNN O75496 1/20 0.40
LMNA P02545 1/20 0.40
BLM P54132 1/20 0.40

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
SCHEMBL9848394 0.86 ASAH1 (0.61) ASAH1ALDH1A1ACER2CERT1UGCG
SCHEMBL7867488 0.81 MME (0.43) ALDH1A1
SCHEMBL7932238 0.76 CTSS (0.42) ALDH1A1LMNASMN1; SMN2
SCHEMBL11256931 0.76 ALDH1A1 (0.54) ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL9150499 0.76 ASAH1 (0.46) ASAH1ALDH1A1ACER2HDAC8HDAC1
SCHEMBL27369417 0.76 ITGB3 (0.49) ASAH1ALDH1A1ACER2
SCHEMBL7598651 0.73 TSHR (0.47) ALDH1A1HDAC8HDAC1HDAC6HDAC3
SCHEMBL9848415 0.72 LMNA (0.53) ALDH1A1HDAC1LMNASMN1; SMN2
Sulfuric Acid SCHEMBL9848473 0.72 ITGB3 (0.46) ASAH1ALDH1A1ACER2HDAC6
SCHEMBL3579475 0.72 NAALAD2 (0.49) ASAH1ALDH1A1ACER2UGCGMEN1

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-0432442-A1 ACAT inhibitors WARNER-LAMBERT COMPANY (US) 1991-06-19 EP disclosed