SCHEMBL7370487

SCHEMBL7370487

C[C@H](NC(=O)OCc1ccccc1)C(=O)NCCc1ccc(OP(=O)(O)O)c(OP(=O)(O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.53
CA1 P00915 2/20 0.50
CA5A P35218 2/20 0.49
CA2 P00918 1/20 0.49
TPSAB1 Q15661 2/20 0.47
PLG P00747 1/20 0.47
PRSS1 P07477 1/20 0.47
CYP1A2 P05177 1/20 0.46
MMP3 P08254 1/20 0.46
ELANE P08246 2/20 0.45
CTSK P43235 1/20 0.45
PRTN3 P24158 1/20 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
SCHEMBL11530575 0.86 SMN1; SMN2 (0.58) SMN1; SMN2CA1CA5ACA2CYP1A2
SCHEMBL15318479 0.83 CA5A (0.62) CA1CA5ACA2TPSAB1PLG
SCHEMBL10954836 0.83 CA5A (0.62) CA1CA5ACA2TPSAB1PLG
SCHEMBL7368539 0.81 CA1 (0.57) SMN1; SMN2CA1CA5ACA2TPSAB1
SCHEMBL10954266 0.81 CA5A (0.60) CA1CA5ACA2TPSAB1PLG
SCHEMBL9136357 0.79 CTSK (0.62) TPSAB1PLGPRSS1CYP1A2CTSK
SCHEMBL6914499 0.79 CYP1A2 (0.54) TPSAB1PLGPRSS1CYP1A2ELANE
SCHEMBL7368908 0.79 LMNA (0.46) SMN1; SMN2CA1CA2
SCHEMBL9150862 0.78 SMN1; SMN2 (0.49) SMN1; SMN2CA1CA2MMP3
SCHEMBL9156183 0.76 SMN1; SMN2 (0.47) SMN1; SMN2CA1CA2MMP3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5438047-A Diphosphates of catecholamines and pharmaceutical compositions containing them ZAMBON GROUP S.P.A. (IT) 1995-08-01 US disclosed
EP-0607394-A1 DIPHOSPHATES OF CATECHOLAMINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZAMBON GROUP S.p.A. (IT) 1994-07-27 EP disclosed
WO-1994003461-A1 DIPHOSPHATES OF CATECHOLAMINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZAMBON GROUP S.P.A. (IT) 1994-02-17 WO disclosed