SCHEMBL9516929

SCHEMBL9516929

CCCc1csc(C=Cc2cccc(NCCCC(=O)O)c2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.52
HDAC6 Q9UBN7 6/20 0.52
HDAC4 P56524 3/20 0.52
HDAC3 O15379 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
NCOR2 Q9Y618 1/20 0.52
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
ADRB1 P08588 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADORA3 P0DMS8 1/20 0.42

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
SCHEMBL9516926 1.00 HDAC1 (0.52) HDAC1HDAC6HDAC4HDAC3HDAC7
SCHEMBL17338690 0.76 HDAC1 (0.79) HDAC1HDAC6HDAC4HDAC3HDAC7
SCHEMBL17338691 0.76 HDAC1 (0.79) HDAC1HDAC6HDAC4HDAC3HDAC7
SCHEMBL9516871 0.75 ALDH1A1 (0.45) HDAC1HDAC6HDAC4HDAC3HDAC7
SCHEMBL9518116 0.74 ALOX5 (0.46) MAPTKDM4EMEN1ALDH1A1CYP3A4
SCHEMBL9518105 0.74 ALOX5 (0.46) MAPTKDM4EMEN1ALDH1A1CYP3A4
SCHEMBL9518032 0.73 HDAC1 (0.46) HDAC1HDAC6HDAC4HDAC3HDAC7
SCHEMBL9518039 0.73 HDAC1 (0.46) HDAC1HDAC6HDAC4HDAC3HDAC7
SCHEMBL9643200 0.70 HDAC1 (0.46) HDAC1HDAC6HDAC4HDAC3HDAC7
SCHEMBL9515533 0.70 KMT2A (0.38) HDAC4MAPTKDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0219436-B1 Thiazole derivative and leukotriene antagonist containing the same as the effective ingredients MITSUBISHI CHEM IND (JP) 1993-12-22 EP disclosed
US-4902700-A Thiazole derivative and leukotriene antagonist containing the same as the effective ingredients MITSUBISHI KASEI CORPORATION (JP) 1990-02-20 US disclosed
EP-0219436-A2 Thiazole derivative and leukotriene antagonist containing the same as the effective ingredients MITSUBISHI KASEI CORPORATION (JP) 1987-04-22 EP disclosed