SCHEMBL11271209

SCHEMBL11271209

CCCC(=O)c1ccc2c(c1)nc(CO)n2C

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
HDAC6 Q9UBN7 15/20 0.46
HTT P42858 1/20 0.46
HDAC1 Q13547 4/20 0.45
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.43
ALDH1A1 P00352 1/20 0.42
PKM P14618 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
SCHEMBL6112803 0.85 GSK3B (0.47) HDAC6HDAC1
Bromide SCHEMBL6125802 0.84 GSK3B (0.46) HPGDHDAC6HDAC1ALDH1A1
SCHEMBL6112734 0.83 NPC1 (0.50) HDAC6HDAC1
SCHEMBL16166414 0.83 HDAC6 (0.52) GAAHPGDHDAC6HTTHDAC1
SCHEMBL11272498 0.81 HPGD (0.46) GAAHPGDHDAC6HDAC1
SCHEMBL11211254 0.80 NPSR1 (0.40) GAAHPGDHDAC6HTTKDM4E
SCHEMBL11213195 0.80 HPGD (0.46) GAAHPGDHDAC6HTTHDAC1
SCHEMBL11276434 0.78 HDAC6 (0.54) HPGDHDAC6HDAC1ALDH1A1
SCHEMBL11267818 0.77 HPGD (0.49) GAAHPGDHDAC6HTTKDM4E
SCHEMBL11276251 0.77 HPGD (0.46) GAAHPGDKDM4E

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
US-4344957-A Benz-acyl-benzimidazole derivatives and antiallergic compositions CIBA-GEIGY CORPORATION (US) 1982-08-17 US disclosed
US-4213993-A ANTIALLERGENS CIBA-GEIGY CORPORATION (US) 1980-07-22 US disclosed
US-4141982-A ANTIALLERGENS CIBA-GEIGY CORPORATION (US) 1979-02-27 US disclosed