SCHEMBL28955786

SCHEMBL28955786

CCCCC1CCC(C(=O)O)C(C(=O)O)C1.O[AlH2]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
TLR4 O00206 1/20 0.43
CYP1A2 P05177 2/20 0.39
POLB P06746 2/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 2/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.38
NAAA Q02083 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
TP53 P04637 1/20 0.35
ALOX5 P09917 1/20 0.35
PKM P14618 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PLG P00747 1/20 0.33
PLAT P00750 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL8464399 0.96 MAPT (0.46) MAPTTLR4CYP1A2POLBHPGD
SCHEMBL28564111 0.95 MAPT (0.45) MAPTTLR4CYP1A2POLBHPGD
SCHEMBL28575027 0.95 MAPT (0.45) MAPTTLR4CYP1A2POLBHPGD
SCHEMBL28559884 0.95 MAPT (0.45) MAPTTLR4CYP1A2POLBHPGD
SCHEMBL30922235 0.95 MAPT (0.45) MAPTTLR4CYP1A2POLBHPGD
SCHEMBL28572525 0.95 MAPT (0.45) MAPTTLR4CYP1A2POLBHPGD
SCHEMBL8460803 0.85 TLR4 (0.38) MAPTTLR4LMNAALDH1A1PLG
SCHEMBL29282893 0.83 TLR4 (0.37) MAPTTLR4LMNAALDH1A1PLG
SCHEMBL30922213 0.83 TLR4 (0.37) MAPTTLR4LMNAALDH1A1PLG
SCHEMBL29282877 0.83 TLR4 (0.37) MAPTTLR4LMNAALDH1A1PLG

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
CN-115210313-A Crystal nucleating agent composition for polyolefin resin and polyolefin resin composition containing the same 新日本理化株式会社 2022-10-18 CN disclosed