SCHEMBL9150499

SCHEMBL9150499

O=C(CCCCCBr)NC(C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 2/20 0.46
ALDH1A1 P00352 1/20 0.46
ACER2 Q5QJU3 1/20 0.46
HDAC8 Q9BY41 4/20 0.44
HDAC1 Q13547 4/20 0.44
CERT1 Q9Y5P4 3/20 0.42
SMPD2 O60906 1/20 0.42
SMPD1 P17405 1/20 0.42
UGCG Q16739 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL11717912 0.90 TDP1 (0.44) ALDH1A1L3MBTL1TDP1LMNAMAPT
SCHEMBL9148938 0.83 HDAC1 (0.43) ALDH1A1HDAC8HDAC1
SCHEMBL3568607 0.82 NAALAD2 (0.49) ASAH1ALDH1A1ACER2UGCGMAPT
SCHEMBL3579475 0.82 NAALAD2 (0.49) ASAH1ALDH1A1ACER2UGCGMAPT
SCHEMBL9151342 0.80 HDAC8 (0.50) ALDH1A1HDAC8HDAC1L3MBTL1LMNA
SCHEMBL9150366 0.80 ALDH1A1 (0.44) ASAH1ALDH1A1ACER2HDAC8HDAC1
SCHEMBL9147568 0.80 ALDH1A1 (0.44) ASAH1ALDH1A1ACER2HDAC8HDAC1
SCHEMBL11717078 0.77 ALDH1A1 (0.54) ALDH1A1L3MBTL1TDP1LMNA
SCHEMBL11720911 0.77 UBE2N (0.45) ALDH1A1L3MBTL1TDP1LMNAMAPT
SCHEMBL27369417 0.77 ITGB3 (0.49) ASAH1ALDH1A1ACER2

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-5403852-A Antiinflammatory agents LABORATOIRE ROGER BELLON (FR) 1995-04-04 US disclosed