SCHEMBL7291954

SCHEMBL7291954

CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CC[C@H](N)C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 2/20 0.50
▸ NOD1 Q9Y239 4/20 0.46
▸ EGFR P00533 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ FYN P06241 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ PTGS2 P35354 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ SLC7A5 Q01650 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ POLB P06746 1/20 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
SCHEMBL7293361 0.93 SLC7A5 (0.53) LCKNOD1EGFRKDM4EUSP2
SCHEMBL11850734 0.84 LCK (0.53) LCKEGFRKDM4EUSP2FYN
SCHEMBL11854802 0.84 LCK (0.55) LCKEGFRKDM4EUSP2FYN
Hydrochloric Acid SCHEMBL7294546 0.81 ALDH1A1 (0.44) NOD1ALOX15ALDH1A1KMT2APOLB
Etilevodopa SCHEMBL29634876 0.81 ALOX15 (0.64) LCKEGFRKDM4EUSP2FYN
Etilevodopa SCHEMBL1069939 0.81 ALOX15 (0.64) LCKEGFRKDM4EUSP2FYN
Etilevodopa SCHEMBL584493 0.81 ALOX15 (0.64) LCKEGFRKDM4EUSP2FYN
Hydrochloric Acid SCHEMBL7301902 0.81 ALOX15 (0.52) NOD1ALOX15ALDH1A1POLB
SCHEMBL11856676 0.81 LCK (0.49) LCKEGFRKDM4EUSP2FYN
SCHEMBL15275678 0.80 LCK (0.52) LCKEGFRKDM4EUSP2FYN

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-0352815-B1 PRODRUGS OF DOPAMINE ZAMBON GROUP S.p.A. (IT) 1993-05-19 — — EP disclosed
US-5013753-A Prodrugs of dopamine SIMES (IT) 1991-05-07 — — US disclosed
EP-0352815-A1 Prodrugs of dopamine ZAMBON GROUP S.p.A. (IT) 1990-01-31 — — EP disclosed
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