SCHEMBL9708919

SCHEMBL9708919

CCC1(C)OCC(C(=O)O)(C(=O)O)CO1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.39
LMNA P02545 2/20 0.39
FFAR3 O14843 1/20 0.32
TP53 P04637 1/20 0.30
NFKB1 P19838 1/20 0.30
CYP2C19 P33261 1/20 0.30
THPO P40225 1/20 0.30
STAT6 P42226 1/20 0.30
HIF1A Q16665 1/20 0.30
NPC1 O15118 1/20 0.30
GMNN O75496 1/20 0.30
MTOR P42345 1/20 0.30
RAB9A P51151 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL9709078 0.80 LMNA (0.31) MAPK1LMNA
SCHEMBL9708986 0.79 AKR1B1 (0.33)
SCHEMBL9708741 0.77 FFAR3 (0.38) MAPK1LMNAFFAR3TP53NFKB1
Acetic Acid SCHEMBL869816 0.75 FFAR3 (0.35) MAPK1FFAR3SMN1; SMN2
SCHEMBL28017602 0.68 FFAR3 (0.35) MAPK1LMNAFFAR3TP53NFKB1
SCHEMBL9619323 0.68 EPHX1 (0.54) MAPK1LMNA
SCHEMBL9090517 0.68 TSHR (0.34) NFKB1CYP2C19
Methacrylic Acid SCHEMBL15739028 0.68
SCHEMBL18105045 0.67 ATM (0.38) MAPK1LMNASMN1; SMN2
SCHEMBL9708981 0.67 GPR84 (0.36)

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-0220034-A2 Malonate derivatives useful as light stabilizers for plastics ICI AMERICAS INC. (US) 1987-04-29 EP claimed
EP-0220034-B1 MALONATE DERIVATIVES USEFUL AS LIGHT STABILIZERS FOR PLASTICS ICI AMERICAS INC. (US) 1992-06-24 EP disclosed
US-4701485-A Malonate-based light stabilizers for plastics ICI AMERICAS INC. (US) 1987-10-20 US disclosed