SCHEMBL8525115

SCHEMBL8525115

CCCCCCCCCCCC(=O)CC(CCN1C(=O)c2ccccc2C1=O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HDAC8 Q9BY41 3/20 0.45
HDAC3 O15379 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC9 Q9UKV0 2/20 0.45
HDAC5 Q9UQL6 2/20 0.45
CDC25A P30304 9/20 0.45

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
SCHEMBL8471646 1.00 MMP2 (0.45) MMP2MMP9HPGDSMN1; SMN2HDAC8
SCHEMBL8475443 1.00 MMP2 (0.45) MMP2MMP9HPGDSMN1; SMN2HDAC8
SCHEMBL8474689 1.00 MMP2 (0.45) MMP2MMP9HPGDSMN1; SMN2HDAC8
SCHEMBL8475881 1.00 MMP2 (0.45) MMP2MMP9HPGDSMN1; SMN2HDAC8
SCHEMBL8475447 1.00 MMP2 (0.45) MMP2MMP9HPGDSMN1; SMN2HDAC8
SCHEMBL10021378 1.00 MMP2 (0.45) MMP2MMP9HPGDSMN1; SMN2HDAC8
SCHEMBL7854992 0.80 MMP2 (0.52) MMP2MMP9CDC25A
SCHEMBL11933946 0.80 CDC25A (0.42) HPGDSMN1; SMN2HDAC8HDAC3HDAC4
SCHEMBL8741817 0.79 PPARG (0.51) MMP2MMP9SMN1; SMN2
SCHEMBL7860406 0.79 THRA (0.48) MMP2MMP9HPGDSMN1; SMN2

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-5932577-A OSTEOPOROSIS; ANTIARTHRITIC AGENTS; ANTIINFLAMMATORY AGENTS;NERVOUS SYSTEM DISORDERS; ANTITUMOR AGENTS; CARDIOVASCULAR DISORDERSANTITUMOR AGENTSD BAYER CORPORATION (US) 1999-08-03 US disclosed