SCHEMBL4371708

SCHEMBL4371708

O=C(O)CCCC(c1ccccc1)n1cnnn1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.43
ALDH1A1 P00352 2/20 0.41
HMOX1 P09601 1/20 0.38
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TBXA2R P21731 1/20 0.37
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC9 Q9UKV0 2/20 0.36
HDAC5 Q9UQL6 2/20 0.36

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
SCHEMBL10636726 0.75 ENPEP (0.36) TBXAS1ALDH1A1HMOX1
SCHEMBL10640126 0.75 ALDH1A1 (0.33) TBXAS1ALDH1A1HMOX1TSHR
SCHEMBL5692956 0.69 TBXAS1 (0.63) TBXAS1ALDH1A1SMN1; SMN2TBXA2RHDAC3
SCHEMBL4592845 0.69 SMN1; SMN2 (0.44) HMOX1TP53SMN1; SMN2KDM4EMEN1
SCHEMBL4581851 0.69 NOTUM (0.42) ALDH1A1HMOX1SMN1; SMN2KDM4EMEN1
Hydrochloric Acid SCHEMBL2861647 0.68 TBXAS1 (0.61) TBXAS1ALDH1A1SMN1; SMN2TBXA2RHDAC3
SCHEMBL14360024 0.68 HDAC3 (0.54) TBXAS1ALDH1A1SMN1; SMN2HDAC3HDAC4
SCHEMBL14360575 0.68 HDAC3 (0.52) TBXAS1ALDH1A1SMN1; SMN2HDAC3HDAC4
SCHEMBL8742857 0.68 HDAC3 (0.50) TBXAS1ALDH1A1SMN1; SMN2KDM4EHDAC3
SCHEMBL2743315 0.68 HDAC3 (0.50) TBXAS1ALDH1A1SMN1; SMN2KDM4EHDAC3

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
EP-2074093-A2 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2009-07-01 EP claimed
WO-2008023336-A2 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2008-02-28 WO claimed