SCHEMBL7828233

SCHEMBL7828233

[CH2]CC(=O)Nc1ccccc1C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.66
ALOX12 P18054 1/20 0.66
RAB9A P51151 3/20 0.62
NPC1 O15118 2/20 0.62
ALDH1A1 P00352 3/20 0.60
MAPT P10636 3/20 0.60
MAPK1 P28482 2/20 0.60
LMNA P02545 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
HDAC3 O15379 1/20 0.60
HDAC4 P56524 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC7 Q8WUI4 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC10 Q969S8 1/20 0.60
HDAC11 Q96DB2 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
HDAC9 Q9UKV0 1/20 0.60
HDAC5 Q9UQL6 1/20 0.60

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
SCHEMBL2005846 0.86 RAB9A (0.73) HPGDALOX12RAB9ANPC1ALDH1A1
SCHEMBL29528561 0.86 RAB9A (0.73) HPGDALOX12RAB9ANPC1ALDH1A1
SCHEMBL30738307 0.82 HPGD (0.68) HPGDALOX12RAB9ANPC1ALDH1A1
SCHEMBL1818573 0.82 HPGD (0.68) HPGDALOX12RAB9ANPC1ALDH1A1
SCHEMBL5892350 0.82 HPGD (0.68) HPGDALOX12RAB9ANPC1ALDH1A1
SCHEMBL12942490 0.81 HPGD (0.66) HPGDALOX12RAB9ANPC1ALDH1A1
SCHEMBL1349121 0.81 HPGD (0.66) HPGDALOX12RAB9ANPC1ALDH1A1
SCHEMBL7284784 0.81 HPGD (0.66) HPGDALOX12RAB9ANPC1ALDH1A1
SCHEMBL11030101 0.81 HPGD (0.66) HPGDALOX12RAB9ANPC1ALDH1A1
SCHEMBL11996347 0.81 HPGD (0.66) HPGDALOX12RAB9ANPC1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0686636-B1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA CO (JP) 2001-04-04 EP disclosed
US-5840895-A INTERMEDIATES FOR ANTIALLERGENS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1998-11-24 US disclosed
US-5686442-A ANTIALLERGENS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-11-11 US disclosed
EP-0686636-A1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-12-13 EP disclosed