SCHEMBL7147790

SCHEMBL7147790

CCC(Oc1ccc(NCc2ccc3c(c2)N(COC)c2nccnc2S3)cn1)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.34
HDAC1 Q13547 1/20 0.31

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
SCHEMBL6749210 0.87 HDAC6 (0.37) HDAC6HDAC1
SCHEMBL6749494 0.81 HDAC6 (0.35) HDAC6HDAC1
SCHEMBL6751864 0.79 HDAC6 (0.34) HDAC6
SCHEMBL6749177 0.78 RAB9A (0.43) HDAC6HDAC1
SCHEMBL6745468 0.75 HDAC6 (0.43) HDAC6HDAC1
SCHEMBL6745730 0.74 HDAC6 (0.43) HDAC6
SCHEMBL6749176 0.73 LMNA (0.47) HDAC6
SCHEMBL6749091 0.73 HDAC6 (0.43) HDAC6HDAC1
SCHEMBL6747454 0.73 HDAC6 (0.43) HDAC6HDAC1
SCHEMBL6749341 0.72 HDAC6 (0.39) HDAC6

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-6518423-B1 These compounds are useful as drugs efficacious in the prevention and treatment of these various inflammatory diseases and immunologic diseases, such as rheumatoid arthritis, atopic dermatitis, psoriasis, asthma, and EISAI CO., LTD. (JP) 2003-02-11 US disclosed