SCHEMBL20845376

SCHEMBL20845376

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

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.63
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL17301663 0.82 ALOX15 (0.70) ALOX15MEN1CYP3A4KMT2A
SCHEMBL22408817 0.81 ALOX15 (0.58) ALOX15MEN1CYP3A4KMT2A
SCHEMBL31678342 0.79 ALOX15 (0.70) ALOX15MEN1CYP3A4KMT2A
SCHEMBL296694 0.79 ALOX15 (0.70) ALOX15MEN1CYP3A4KMT2A
SCHEMBL164898 0.79 ALOX15 (0.70) ALOX15MEN1CYP3A4KMT2A
SCHEMBL296693 0.79 ALOX15 (0.70) ALOX15MEN1CYP3A4KMT2A
Linalool (+) SCHEMBL891312 0.78 ALOX15 (1.00) ALOX15MEN1CYP3A4KMT2A
Linalool SCHEMBL29481111 0.78 ALOX15 (1.00) ALOX15MEN1CYP3A4KMT2A
Linalool SCHEMBL254425 0.78 ALOX15 (1.00) ALOX15MEN1CYP3A4KMT2A
Linalool SCHEMBL988357 0.78 ALOX15 (1.00) ALOX15MEN1CYP3A4KMT2A

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-20190090520-A1 REDUCED SODIUM FOOD PRODUCTS GEN MILLS INC (US) 2019-03-28 US disclosed