SCHEMBL9540545

SCHEMBL9540545

C=C(C)CC(O)C=CCCO

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 3/20 0.36
CYP3A4 P08684 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL5868415 0.73
SCHEMBL5868418 0.73
SCHEMBL8418878 0.73
SCHEMBL8418881 0.73
SCHEMBL28657762 0.70 HDAC2 (0.33) HDAC2
SCHEMBL5868453 0.70 SPHK2 (0.37) CYP3A4MEN1KMT2ALMNAMAPT
SCHEMBL5868456 0.70 SPHK2 (0.37) CYP3A4MEN1KMT2ALMNAMAPT
SCHEMBL11592867 0.70 HDAC2 (0.31) HDAC2
SCHEMBL12475479 0.70 USP2 (0.35) HDAC2CYP3A4USP2LMNAMAPT
SCHEMBL13787368 0.68 SPHK2 (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993002146-A1 PAINT COMPOSITION J.C. HEMPEL'S SKIBSFARVE-FABRIK A/S (DK) 1993-02-04 WO disclosed