SCHEMBL9854819

SCHEMBL9854819

CCOP(=O)(O)O.NOc1ccc(CCNC(=O)OCc2ccccc2)cc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.43
MAPT P10636 1/20 0.43
LMNA P02545 2/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA1 P00915 2/20 0.41
HTT P42858 1/20 0.41
CA5A P35218 2/20 0.40

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
Ammonia Solution, Strong SCHEMBL9155909 0.85 SMN1; SMN2 (0.45) SMN1; SMN2L3MBTL1MAPTLMNAHDAC3
SCHEMBL9150862 0.84 SMN1; SMN2 (0.49) SMN1; SMN2L3MBTL1MAPTLMNACA1
SCHEMBL10792509 0.79 SMN1; SMN2 (0.53) SMN1; SMN2L3MBTL1MAPTLMNAHTT
SCHEMBL10796427 0.78 SMN1; SMN2 (0.51) SMN1; SMN2L3MBTL1MAPTLMNAHTT
SCHEMBL7371177 0.76 TRPV1 (0.60) SMN1; SMN2L3MBTL1MAPTLMNAHSD17B10
Hydrochloric Acid SCHEMBL4187499 0.75 TRPV1 (0.59) SMN1; SMN2L3MBTL1MAPTLMNAHSD17B10
SCHEMBL9156183 0.74 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1MAPTLMNACA1
Ammonia Solution, Strong SCHEMBL9151824 0.73 SMN1; SMN2 (0.39) SMN1; SMN2L3MBTL1MAPTLMNACA1
SCHEMBL7367758 0.73 SMN1; SMN2 (0.49) SMN1; SMN2L3MBTL1MAPTLMNAHDAC3
SCHEMBL10601679 0.72 SMN1; SMN2 (0.53) SMN1; SMN2L3MBTL1MAPTLMNAHTT

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
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