SCHEMBL11854644

SCHEMBL11854644

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 2/20 0.60
▸ NPY4R P50391 2/20 0.49
▸ NPY1R P25929 1/20 0.49
▸ IL1RN P18510 6/20 0.49
▸ ERAP2 Q6P179 6/20 0.49
▸ ERAP1 Q9NZ08 5/20 0.48
▸ HSD17B10 Q99714 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ EGFR P00533 1/20 0.47
▸ FYN P06241 1/20 0.47
▸ ADORA3 P0DMS8 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ PTGS1 P23219 1/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ PTGS2 P35354 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ SLC7A5 Q01650 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL11856676 0.91 LCK (0.49) LCKNPY4RNPY1RIL1RNERAP2
SCHEMBL11857999 0.91 LCK (0.54) LCKNPY4RNPY1RIL1RNERAP2
SCHEMBL11849660 0.90 LCK (0.65) LCKERAP2ERAP1HSD17B10KDM4E
Hydrochloric Acid SCHEMBL11684930 0.89 LCK (0.64) LCKERAP2ERAP1HSD17B10KDM4E
SCHEMBL11454560 0.88 FOLH1 (0.57) LCKNPY4RNPY1RHSD17B10KDM4E
SCHEMBL11446869 0.88 FOLH1 (0.57) LCKNPY4RNPY1RHSD17B10KDM4E
SCHEMBL11446870 0.88 FOLH1 (0.57) LCKNPY4RNPY1RHSD17B10KDM4E
SCHEMBL11859692 0.87 ERAP2 (0.49) LCKIL1RNERAP2ERAP1
SCHEMBL27431221 0.86 ERAP2 (0.62) NPY4RNPY1RIL1RNERAP2ERAP1
SCHEMBL11859518 0.85 LCK (0.59) LCKERAP2HSD17B10KDM4EUSP2

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
US-3939253-A Novel, transient pro-drug forms of l-dopa useful in the treatment of parkinson's disease INTERX RESEARCH CORPORATION (US) 1976-02-17 — — US disclosed
Send feedback