SCHEMBL23069520

SCHEMBL23069520

O=C(N[C@@H](Cc1ccc(OP(=O)(OCc2ccccc2)OCc2ccccc2)c(OCc2ccccc2)c1)C(=O)N[C@@H](Cc1ccc(OP(=O)(OCc2ccccc2)OCc2ccccc2)c(OCc2ccccc2)c1)C(=O)O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.51
MME P08473 2/20 0.48
ECE1 P42892 2/20 0.48
ITGB3 P05106 5/20 0.47
ITGA2B P08514 5/20 0.47
CTSL P07711 4/20 0.46
CTSB P07858 4/20 0.46
CTSS P25774 4/20 0.46
F2 P00734 1/20 0.46
CTSK P43235 1/20 0.45
HDAC8 Q9BY41 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
SCHEMBL23069521 1.00 TACR1 (0.51) TACR1MMEECE1ITGB3ITGA2B
SCHEMBL29664049 0.96 ITGB3 (0.50) TACR1MMEECE1ITGB3ITGA2B
SCHEMBL23069604 0.96 ITGB3 (0.50) TACR1MMEECE1ITGB3ITGA2B
SCHEMBL17685870 0.96 ITGB3 (0.50) TACR1MMEECE1ITGB3ITGA2B
SCHEMBL23069517 0.96 ITGB3 (0.52) TACR1MMEECE1ITGB3ITGA2B
SCHEMBL23069519 0.96 ITGB3 (0.52) TACR1MMEECE1ITGB3ITGA2B
SCHEMBL29774411 0.94 TACR1 (0.51) TACR1CTSLCTSBCTSSF2
SCHEMBL25471765 0.94 TACR1 (0.53) TACR1CTSLCTSBCTSSF2
SCHEMBL25471864 0.94 TACR1 (0.50) TACR1CTSLCTSBCTSSF2
SCHEMBL25471768 0.94 TACR1 (0.50) TACR1CTSLCTSBCTSSF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4025200-A1 LIQUID COMPOSITIONS COMPRISING A LEVODOPA AMINO ACID CONJUGATE AND USES THEREOF Neuroderm Ltd (IL) 2022-07-13 EP disclosed
WO-2021044420-A1 LIQUID COMPOSITIONS COMPRISING A LEVODOPA AMINO ACID CONJUGATE AND USES THEREOF NEURODERM, LTD. (IL) 2021-03-11 WO disclosed