SCHEMBL7367758

SCHEMBL7367758

O=C(NCCc1ccc(OP(=O)(OCc2ccccc2)OCc2ccccc2)c(OP(=O)(OCc2ccccc2)OCc2ccccc2)c1)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
TGM2 P21980 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
IDO1 P14902 1/20 0.42

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
SCHEMBL10602965 0.95 SLC2A1 (0.47) SMN1; SMN2LMNAHTTNPC1RAB9A
SCHEMBL10793664 0.95 MTNR1A (0.48) SMN1; SMN2LMNAHTTNPC1RAB9A
SCHEMBL10600778 0.81 ALDH1A1 (0.53) SMN1; SMN2LMNAHTTNPC1RAB9A
SCHEMBL10796427 0.80 SMN1; SMN2 (0.51) SMN1; SMN2LMNAHTTL3MBTL1ALDH1A1
SCHEMBL9150862 0.80 SMN1; SMN2 (0.49) SMN1; SMN2LMNAHTTL3MBTL1MAPT
SCHEMBL9156183 0.78 SMN1; SMN2 (0.47) SMN1; SMN2LMNAHTTL3MBTL1MAPT
SCHEMBL7369120 0.78 HDAC1 (0.41) NPC1RAB9AL3MBTL1ALDH1A1MAPT
SCHEMBL4187817 0.78 TRPV1 (0.55) SMN1; SMN2LMNAHTTNPC1RAB9A
SCHEMBL2851561 0.78 LMNA (0.61) SMN1; SMN2LMNAHTTL3MBTL1MAPT
Benzyl Phenethylcarbamate SCHEMBL4287199 0.77 LMNA (0.73) SMN1; SMN2LMNAHTTNPC1RAB9A

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