SCHEMBL4408319

SCHEMBL4408319

CC(C1CC(C)(C(=O)O)C1(C)C(=O)O)C1CC(C)(C(=O)O)C1(C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.38
TP53 P04637 1/20 0.38
NFKB1 P19838 1/20 0.38
CYP2C19 P33261 1/20 0.38
THPO P40225 1/20 0.38
STAT6 P42226 1/20 0.38
HIF1A Q16665 1/20 0.38
NPC1 O15118 1/20 0.38
GMNN O75496 1/20 0.38
LMNA P02545 1/20 0.38
MTOR P42345 1/20 0.38
RAB9A P51151 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
APLNR P35414 1/20 0.32
FFAR3 O14843 1/20 0.31

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
SCHEMBL11267400 0.71 MAPK1 (0.41) MAPK1TP53NFKB1CYP2C19THPO
SCHEMBL2917128 0.68 MAPK1 (0.39) MAPK1TP53NFKB1CYP2C19THPO
SCHEMBL11057146 0.65 MAPK1 (0.36) MAPK1TP53NFKB1CYP2C19THPO
SCHEMBL22347934 0.64
SCHEMBL1859620 0.62 APLNR (0.40) MAPK1TP53NFKB1CYP2C19THPO
SCHEMBL1857024 0.62 APLNR (0.40) MAPK1TP53NFKB1CYP2C19THPO
SCHEMBL12763454 0.62 APLNR (0.40) MAPK1TP53NFKB1CYP2C19THPO
SCHEMBL9152847 0.60 FFAR3 (0.56) MAPK1TP53NFKB1CYP2C19THPO
SCHEMBL19307390 0.60 FFAR3 (0.47) MAPK1TP53NFKB1CYP2C19THPO
SCHEMBL14439315 0.60 FFAR3 (0.56) MAPK1TP53NFKB1CYP2C19THPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024037851-A1 USE OF ADDITIVES FOR IMPROVING THE PROCESSING OF POLYETHYLENES BASF SE (DE) 2024-02-22 WO disclosed
EP-2026965-A1 MONO- AND MULTI-LAYER BLOWN FILMS Ciba Holding Inc. (CH) 2009-02-25 EP disclosed
EP-1928936-A1 PROCESS FOR IMPROVING THE FLOW PROPERTIES OF POLYMER MELTS Ciba Holding Inc. (CH) 2008-06-11 EP disclosed
WO-2007068766-A1 MONO- AND MULTI-LAYER BLOWN FILMS CIBA HOLDING INC. (CH) 2007-06-21 WO disclosed
WO-2007039471-A1 PROCESS FOR IMPROVING THE FLOW PROPERTIES OF POLYMER MELTS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2007-04-12 WO disclosed