SCHEMBL7708659

SCHEMBL7708659

O=C(O)CC1CN(c2ccccc2)c2cc(NC(=O)CCCCNc3ccccn3)ccc2O1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.43
ITGAV P06756 16/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
ITGA2B P08514 5/20 0.42
ITGB5 P18084 3/20 0.42
GAA P10253 1/20 0.39
ITGB1 P05556 2/20 0.39
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38

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
SCHEMBL6860274 1.00 ITGB3 (0.43) ITGB3ITGAVHDAC3HDAC4HDAC1
SCHEMBL7713835 0.97 ITGB3 (0.41) ITGB3ITGAVHDAC3HDAC4HDAC1
SCHEMBL6860791 0.97 ITGB3 (0.41) ITGB3ITGAVHDAC3HDAC4HDAC1
SCHEMBL6860649 0.94 GAA (0.41) ITGB3ITGAVHDAC3HDAC4HDAC1
SCHEMBL7711239 0.94 GAA (0.41) ITGB3ITGAVHDAC3HDAC4HDAC1
SCHEMBL6859272 0.90 ITGB3 (0.44) ITGB3ITGAVHDAC3HDAC4HDAC1
SCHEMBL6860539 0.87 ITGB3 (0.43) ITGB3ITGAVHDAC3HDAC4HDAC1
SCHEMBL6859130 0.87 ITGB3 (0.42) ITGB3ITGAVHDAC3HDAC4HDAC1
SCHEMBL6859242 0.87 ITGB3 (0.42) ITGB3ITGAVHDAC3HDAC4HDAC1
SCHEMBL6853929 0.86 ITGB3 (0.41) ITGB3ITGAVHDAC3HDAC4HDAC1

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-6794385-B2 ANTITUMOR AGENTS; ANTICANCER AGENTS; OSTEOPOROSIS PHARMACIA & UPJOHN, S.P.A. (IT) 2004-09-21 US disclosed
US-6794385-B2 ANTITUMOR AGENTS; ANTICANCER AGENTS; OSTEOPOROSIS PHARMACIA & UPJOHN, S.P.A. (IT) 2004-09-21 US disclosed