SCHEMBL8349145

SCHEMBL8349145

O=C(NCCCC[C@H](NC(=O)[C@H]1O[C@@H]1C(=O)N(Cc1ccccc1)Cc1ccccc1)C(=O)Nc1cccc2ccccc12)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC4 P56524 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
SIRT5 Q9NXA8 2/20 0.46
PTGER4 P35408 3/20 0.44
SIRT1 Q96EB6 3/20 0.44
FOLH1 Q04609 1/20 0.43
SIRT2 Q8IXJ6 2/20 0.42
SIRT3 Q9NTG7 2/20 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
SCHEMBL8345432 0.90 HDAC1 (0.51) HDAC1HDAC2HDAC4HDAC6HDAC3
SCHEMBL8349755 0.88 HDAC1 (0.50) HDAC1HDAC2HDAC4HDAC6HDAC3
Hydrochloric Acid SCHEMBL8346024 0.85 NTMT1 (0.50) HDAC1HDAC2HDAC4HDAC6HDAC3
Hydrochloric Acid SCHEMBL7764057 0.85 NTMT1 (0.50) HDAC1HDAC2HDAC4HDAC6HDAC3
SCHEMBL8345990 0.78 CA1 (0.46) HDAC1HDAC2SIRT5
SCHEMBL8349352 0.78 CA1 (0.47) HDAC1HDAC2HDAC4HDAC6HDAC3
Hydrochloric Acid SCHEMBL7764068 0.77 NTMT1 (0.50) HDAC1HDAC2HDAC4HDAC6HDAC3
Hydrochloric Acid SCHEMBL8342864 0.77 NTMT1 (0.50) HDAC1HDAC2HDAC4HDAC6HDAC3
SCHEMBL8344872 0.77 FOLH1 (0.48) PTGER4FOLH1
SCHEMBL7765665 0.76 ANPEP (0.64) HDAC1HDAC2HDAC4HDAC6HDAC3

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-5883121-A INHIBITING ACTIVITY AGAINST CATHEPSIN, AND IS USEFUL FOR PREVENTION AND TREATMENT OF OSTEOPATHY SUCH AS OSTEOPOROSIS TAIHO PHARMACEUTICAL CO., LTD. (JP) 1999-03-16 US disclosed