SCHEMBL9150862

SCHEMBL9150862

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.44
MAPT P10636 1/20 0.44
TGM2 P21980 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
CA1 P00915 2/20 0.42
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 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
SCHEMBL9156183 0.87 SMN1; SMN2 (0.47) SMN1; SMN2LMNAHTTL3MBTL1MAPT
Ammonia Solution, Strong SCHEMBL9155909 0.87 SMN1; SMN2 (0.45) SMN1; SMN2LMNAHTTL3MBTL1MAPT
SCHEMBL10792509 0.86 SMN1; SMN2 (0.53) SMN1; SMN2LMNAHTTL3MBTL1MAPT
SCHEMBL9854819 0.84 SMN1; SMN2 (0.46) SMN1; SMN2LMNAHTTL3MBTL1MAPT
SCHEMBL7371177 0.83 TRPV1 (0.60) SMN1; SMN2LMNAHTTL3MBTL1MAPT
Hydrochloric Acid SCHEMBL4187499 0.82 TRPV1 (0.59) SMN1; SMN2LMNAHTTL3MBTL1MAPT
Ammonia Solution, Strong SCHEMBL9151824 0.80 SMN1; SMN2 (0.39) SMN1; SMN2LMNAHTTL3MBTL1MAPT
SCHEMBL7367758 0.80 SMN1; SMN2 (0.49) SMN1; SMN2LMNAHTTL3MBTL1MAPT
SCHEMBL10601679 0.79 SMN1; SMN2 (0.53) SMN1; SMN2LMNAHTTL3MBTL1MAPT
SCHEMBL7370487 0.78 SMN1; SMN2 (0.53) 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
EP-0430336-B1 Process for the preparation of 4-O-phosphates of dopamine and dopamine derivatives ZAMBON SPA (IT) 1995-02-15 EP disclosed
US-5138084-A PROCESS FOR THE PREPARATION OF 4-O-PHOSPHATES OF DOPAMINE AND DOPAMINE DERIVATIVES SIMES SOCIETA ITALIANA MEDICINALI E SINTETICI S.P.A. (IT) 1992-08-11 US disclosed
EP-0430336-A2 Process for the preparation of 4-O-phosphates of dopamine and dopamine derivatives ZAMBON GROUP S.p.A. (IT) 1991-06-05 EP disclosed