SCHEMBL8704202

SCHEMBL8704202

N[C@@H](Cc1ccccc1)C(=O)NCCCCCCNc1ccc2c(c1)C(=O)c1ccccc1C2=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
TERT O14746 2/20 0.46
PRKD3 O94806 1/20 0.46
PRKCG P05129 1/20 0.46
PRKCB P05771 1/20 0.46
PRKCA P17252 1/20 0.46
PRKCH P24723 1/20 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
SCHEMBL8699346 0.97 SLC1A3 (0.47) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL8703814 0.89 TERT (0.44) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL8703823 0.89 TERT (0.44) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL8703139 0.87 REN (0.50)
SCHEMBL8702872 0.84 TERT (0.61) HDAC2HDAC6SLC1A3SLC1A2SLC1A1
SCHEMBL16559587 0.82 ALPI (0.58)
SCHEMBL8699349 0.81 SLC1A3 (0.49) SLC1A3SLC1A2SLC1A1TERTMEN1
SCHEMBL18375234 0.80 ALPI (0.59) HDAC8
SCHEMBL11254327 0.80 ALPI (0.59) HDAC8
SCHEMBL8699004 0.80 TERT (0.62) SLC1A3SLC1A2SLC1A1TERTMEN1

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-5733880-A ANTITUMOR AGENTS NAPIER UNIVERSITY VENTURES LIMITED (GB) 1998-03-31 US disclosed