SCHEMBL9851494

SCHEMBL9851494

NC(CCc1ccccc1)OC(=O)C(O)C(O)C(=O)OC(N)CCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.52
METAP1 P53582 3/20 0.52
ANPEP P15144 2/20 0.47
ERAP1 Q9NZ08 2/20 0.47
ERAP2 Q6P179 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 1/20 0.44
GRIK1 P39086 1/20 0.42
CNR2 P34972 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DPP4 P27487 1/20 0.41
ALPI P09923 1/20 0.41
PKM P14618 1/20 0.41
PTGS1 P23219 1/20 0.41
XIAP P98170 1/20 0.41
SLC7A5 Q01650 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
SCHEMBL27597980 0.95 METAP2 (0.49) METAP2METAP1ANPEPERAP1ERAP2
SCHEMBL28360416 0.83 ERAP1 (0.50) METAP2METAP1ANPEPERAP1ERAP2
SCHEMBL16755256 0.80 HCAR2 (0.49) METAP2METAP1ANPEPERAP1ERAP2
SCHEMBL1649358 0.79 TDP1 (0.46) METAP2METAP1TDP1CNR2TSHR
SCHEMBL4744749 0.79 ANPEP (0.46) METAP2METAP1ANPEPERAP1ERAP2
SCHEMBL5310603 0.75 ESR1 (0.57) METAP2METAP1ANPEPERAP1ERAP2
SCHEMBL28307421 0.75 SLC1A3 (0.50) METAP2METAP1ANPEPERAP1ERAP2
SCHEMBL15989107 0.74 TLR2 (0.48)
SCHEMBL5848773 0.74 METAP2 (0.65) METAP2METAP1ANPEPERAP1ERAP2
SCHEMBL21458090 0.74 METAP2 (0.65) METAP2METAP1ANPEPERAP1ERAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0194547-A2 Stable acetylsalicylic acid and diphenhydramine citrate effervescent composition MILES LABORATORIES, INC. (US) 1986-09-17 EP claimed
EP-0418564-A1 Effervescent cold or sinus allergy medicine composition having reduced sodium content BAYER AG (DE) 1991-03-27 EP disclosed
EP-0194547-A2 Stable acetylsalicylic acid and diphenhydramine citrate effervescent composition MILES LABORATORIES, INC. (US) 1986-09-17 EP disclosed
US-4083950-A DECONGESTANT MILES LABORATORIES, INC. (US) 1978-04-11 US disclosed