SCHEMBL11405396

SCHEMBL11405396

N[C@H](O)[C@@](O)(NC(=O)CCCc1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.53
HDAC2 Q92769 3/20 0.53
HDAC3 O15379 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
HDAC5 Q9UQL6 2/20 0.53
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 2/20 0.47
PKM P14618 1/20 0.47
ALOX5 P09917 1/20 0.47
MAPK1 P28482 1/20 0.46
ADRA1A P35348 1/20 0.46
HDAC4 P56524 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
TRPV1 Q8NER1 2/20 0.46

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
SCHEMBL11415085 0.85 SMN1; SMN2 (0.54) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL5807162 0.85 HPGD (0.52) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL5057819 0.85 HPGD (0.52) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL5812588 0.85 SMN1; SMN2 (0.54) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL11408765 0.85 HPGD (0.49) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL11412786 0.85 HDAC1 (0.49) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL11414808 0.84 HDAC1 (0.48) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL21570276 0.83 SMN1; SMN2 (0.49) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL5812224 0.83 HPGD (0.47) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL5812537 0.83 SMN1; SMN2 (0.49) HDAC1HDAC2HDAC3HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4240975-A USED AS ENZYME INHIBITOR, ANTIFERTILITY AGENT, AND ENHANCES THE ANTITUMOR EFFECT OF BLEOMYCIN ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1980-12-23 US disclosed
US-4189604-A PEPTIDASE ENZYME INHIBITORS ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1980-02-19 US disclosed