SCHEMBL7711239

SCHEMBL7711239

O=C(O)CC1CN(c2ccccc2)c2cc(NC(=O)CCNc3ccccn3)ccc2O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
ITGB3 P05106 8/20 0.40
ITGAV P06756 8/20 0.40
ITGA2B P08514 3/20 0.40
ITGB5 P18084 2/20 0.40
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
RORC P51449 6/20 0.38
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 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
SCHEMBL6860649 1.00 GAA (0.41) GAAITGB3ITGAVITGA2BITGB5
SCHEMBL6860791 0.95 ITGB3 (0.41) GAAITGB3ITGAVITGA2BITGB5
SCHEMBL7713835 0.95 ITGB3 (0.41) GAAITGB3ITGAVITGA2BITGB5
SCHEMBL6860274 0.94 ITGB3 (0.43) GAAITGB3ITGAVITGA2BITGB5
SCHEMBL7708659 0.94 ITGB3 (0.43) GAAITGB3ITGAVITGA2BITGB5
SCHEMBL7711755 0.92 GAA (0.39) GAAHDAC3HDAC4HDAC1HDAC7
SCHEMBL6859135 0.90 GAA (0.42) GAAITGB3ITGAVITGA2BITGB5
SCHEMBL7708666 0.86 GAA (0.40) GAAITGB3ITGAVITGA2BITGB5
SCHEMBL6862581 0.86 GAA (0.40) GAAITGB3ITGAVITGA2BITGB5
SCHEMBL7711485 0.86 GAA (0.40) GAAITGB3ITGAVITGA2BITGB5

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