SCHEMBL9159350

SCHEMBL9159350

NCC(=O)NCCc1ccc(OP(=O)(O)O)c(O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 3/20 0.43
HSD17B10 Q99714 2/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
PTGS1 P23219 1/20 0.43
BLM P54132 1/20 0.43
HIF1A Q16665 1/20 0.43
TRPV1 Q8NER1 2/20 0.41
ERCC1 P07992 1/20 0.41
ERCC4 Q92889 1/20 0.41
PKM P14618 2/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL9153352 0.82 SLC7A5 (0.44) MEN1KMT2AGAAMAPTHSD17B10
SCHEMBL9156756 0.81 TSHR (0.61) MEN1KMT2AGAAMAPTHSD17B10
Fosopamine SCHEMBL30567798 0.80 MAPT (0.57) MEN1KMT2AMAPTHSD17B10LMNA
Fosopamine SCHEMBL828844 0.80 MAPT (0.57) MEN1KMT2AMAPTHSD17B10LMNA
Hydrochloric Acid SCHEMBL9152256 0.79 LMNA (0.62) MEN1KMT2AGAAMAPTHSD17B10
SCHEMBL28976197 0.79 MAPT (0.66) CA1CA2MEN1KMT2AGAA
Fosopamine SCHEMBL9152610 0.79 MAPT (0.58) MEN1KMT2AMAPTHSD17B10LMNA
SCHEMBL9152005 0.77 S1PR2 (0.43) MEN1KMT2AMAPTHSD17B10LMNA
SCHEMBL9150862 0.77 SMN1; SMN2 (0.49) CA1CA2MEN1KMT2AGAA
SCHEMBL30666300 0.77 CYP19A1 (0.44) MEN1KMT2AGAALMNACYP1A2

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