SCHEMBL6300484

SCHEMBL6300484

CC(C)(C)OC(=O)N(C(=O)CCCCN(C(=O)OC(C)(C)C)c1ccccn1)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
HDAC1 Q13547 4/20 0.42
HDAC2 Q92769 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
OPRM1 P35372 2/20 0.41
HDAC9 Q9UKV0 2/20 0.39
TSHR P16473 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL6302650 0.96 POLB (0.43) POLBHDAC1HDAC2HDAC6HDAC3
SCHEMBL6563271 0.93 POLB (0.46) POLBHDAC1HDAC2HDAC6HDAC3
SCHEMBL6301687 0.92 POLB (0.45) POLBOPRM1TSHRGAASMN1; SMN2
SCHEMBL6566582 0.90 POLB (0.47) POLBOPRM1TSHRGAASMN1; SMN2
SCHEMBL2042846 0.88 POLB (0.47) POLBHDAC1HDAC2HDAC6HDAC3
SCHEMBL2037515 0.86 SMN1; SMN2 (0.46) POLBHDAC1HDAC2HDAC6HDAC3
SCHEMBL6563235 0.85 POLB (0.49) POLBOPRM1TSHRGAASMN1; SMN2
SCHEMBL8486574 0.84 POLB (0.48) POLBHDAC1HDAC2HDAC6HDAC3
SCHEMBL20025128 0.84 POLB (0.47) POLBHDAC1HDAC2HDAC6HDAC3
SCHEMBL26574069 0.83 SMN1; SMN2 (0.44) POLBOPRM1GAASMN1; SMN2LMNA

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-6846833-B2 Vitronectin receptor antagonist bicyclic compounds, preparation method and compositions containing same LES LABORATORIES SERVIER (FR) 2005-01-25 US disclosed