SCHEMBL27414795

SCHEMBL27414795

C=CC(C)(O)CC/C=C(\C)CC/C=C(\C)CCCC(C)C

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 6/20 0.68
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
CYP3A4 P08684 1/20 0.54
KDM1A O60341 1/20 0.52
PTPN1 P18031 2/20 0.43
SQLE Q14534 3/20 0.36
PTGS1 P23219 1/20 0.33
PDE4A P27815 1/20 0.33
SNCA P37840 1/20 0.33
PDE3A Q14432 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
SCHEMBL5693809 0.97 ALOX15 (0.62) ALOX15KMT2AMEN1CYP3A4KDM1A
SCHEMBL5693810 0.97 ALOX15 (0.62) ALOX15KMT2AMEN1CYP3A4KDM1A
SCHEMBL23747110 0.92 ALOX15 (0.68) ALOX15KMT2AMEN1CYP3A4KDM1A
SCHEMBL27414793 0.92 ALOX15 (0.68) ALOX15KMT2AMEN1CYP3A4KDM1A
SCHEMBL7941585 0.87 ALOX15 (0.70) ALOX15KMT2AMEN1CYP3A4KDM1A
SCHEMBL7941578 0.87 ALOX15 (0.70) ALOX15KMT2AMEN1CYP3A4KDM1A
SCHEMBL27414791 0.86 ALOX15 (0.68) ALOX15KMT2AMEN1CYP3A4KDM1A
SCHEMBL7941581 0.83 ALOX15 (0.59) ALOX15KMT2AMEN1CYP3A4KDM1A
SCHEMBL31632560 0.82 ALOX15 (0.55) ALOX15KMT2AMEN1CYP3A4KDM1A
SCHEMBL31632557 0.82 ALOX15 (0.55) ALOX15KMT2AMEN1CYP3A4KDM1A

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-20240209132-A1 COUPLING OF 2,3,5-TRIMETHYLHYDROQUINONE AND UNSATURATED ALCOHOLS DSM IP ASSETS B.V. (NL) 2024-06-27 US disclosed