SCHEMBL9765065

SCHEMBL9765065

COC(C)CCCC(C)(C)O

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
KCNH3 Q9ULD8 1/20 0.32
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
KMT2A Q03164 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
SCHEMBL14867329 0.83 ALDH1A1 (0.35) ALDH1A1MEN1CYP3A4ALOX15KMT2A
SCHEMBL997419 0.74 ALDH1A1 (0.35) ALDH1A1MEN1CYP3A4ALOX15KMT2A
SCHEMBL14763880 0.74 ALDH1A1 (0.35) ALDH1A1MEN1CYP3A4ALOX15KMT2A
SCHEMBL12926136 0.74 TSHR (0.44) ALDH1A1CYP3A4ALOX15
SCHEMBL81885 0.74 ALDH1A1 (0.50) ALDH1A1KCNH3MEN1CYP3A4ALOX15
SCHEMBL16357610 0.74 ALDH1A1 (0.50) ALDH1A1KCNH3MEN1CYP3A4ALOX15
SCHEMBL10883735 0.73 TRPV1 (0.33)
SCHEMBL9632385 0.73
SCHEMBL19212472 0.73 ALDH1A1 (0.38) ALDH1A1
SCHEMBL671803 0.73 FAAH (0.40) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3220146-A None JP disclosed
JP-H03220146-A NOVEL ALCOHOLS AND PERFUME COMPOSITION CONTAINING THE SAME KAO CORP 1991-09-27 JP disclosed