SCHEMBL9862683

SCHEMBL9862683

O=C(O)CCC(=O)OS(=O)(=O)O.[Na]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.43
EGLN1 Q9GZT9 4/20 0.43
ALKBH5 Q6P6C2 1/20 0.43
SUCNR1 Q9BXA5 1/20 0.43
KDM5C P41229 3/20 0.41
PHF8 Q9UPP1 3/20 0.41
KDM2A Q9Y2K7 3/20 0.41
KDM6B O15054 2/20 0.41
APEX1 P27695 1/20 0.39
POLB P06746 1/20 0.36
SLC15A2 Q16348 1/20 0.35
MAPK1 P28482 1/20 0.35
SLC13A3 Q8WWT9 1/20 0.35
OR51E2 Q9H255 1/20 0.35
TSHR P16473 3/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
KDM4E B2RXH2 2/20 0.32
FOLH1 Q04609 1/20 0.32
GABRR1 P24046 1/20 0.32
NFKB1 P19838 1/20 0.32

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
SCHEMBL362990 0.98 LMNA (0.45) LMNAEGLN1ALKBH5SUCNR1KDM5C
SCHEMBL19993984 0.95 LMNA (0.43) LMNAEGLN1ALKBH5SUCNR1KDM5C
SCHEMBL28805661 0.95 LMNA (0.43) LMNAEGLN1ALKBH5SUCNR1KDM5C
Water SCHEMBL16597988 0.95 LMNA (0.43) LMNAEGLN1ALKBH5SUCNR1KDM5C
SCHEMBL10551554 0.95 LMNA (0.43) LMNAEGLN1ALKBH5SUCNR1KDM5C
Sulfuric Acid SCHEMBL3375935 0.95 LMNA (0.43) LMNAEGLN1ALKBH5SUCNR1KDM5C
Alcohol SCHEMBL8906908 0.89 EGLN1 (0.42) LMNAEGLN1ALKBH5SUCNR1KDM5C
SCHEMBL362989 0.87 TSHR (0.38) TSHR
Ether SCHEMBL16597987 0.86 EGLN1 (0.39) LMNAEGLN1ALKBH5SUCNR1KDM5C
Monoethanolamine SCHEMBL5703751 0.86 LMNA (0.37) LMNAEGLN1ALKBH5SUCNR1KDM5C

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-5057502-A Extract of juniper berries for controlling skin oils and secretions, acne ACA PRODUCTS FOR HEALTH, INC. 1991-10-15 US disclosed