SCHEMBL10608564

SCHEMBL10608564

C(=C1CC1)c1ccccc1.C=COC(=O)C1CC1.C=COC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ELANE P08246 1/20 0.33
OGA O60502 1/20 0.32
HPGD P15428 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ACHE P22303 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL3443362 0.89 ACHE (0.37) RAB9AMEN1KMT2AOGAALDH1A1
Styrene SCHEMBL990787 0.79 ALDH1A1 (0.47) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL994923 0.78 KMT2A (0.35) KMT2AALDH1A1
Acrylonitrile SCHEMBL6553842 0.75 OGA (0.33) SMN1; SMN2NPC1RAB9AOGAHPGD
SCHEMBL5406615 0.74 ACHE (0.35) RAB9AMEN1KMT2AHPGDSLC6A2
Acetic Acid SCHEMBL585034 0.73 KMT2A (0.36) KMT2AELANEALDH1A1
SCHEMBL9799692 0.73 RAB9A (0.41) SMN1; SMN2NPC1RAB9AELANEHPGD
Styrene SCHEMBL381689 0.72 ALDH1A1 (0.54) SMN1; SMN2MEN1KMT2AALDH1A1
Styrene SCHEMBL28187565 0.72 ALDH1A1 (0.54) SMN1; SMN2MEN1KMT2AALDH1A1
Styrene SCHEMBL9640408 0.72 ALDH1A1 (0.54) SMN1; SMN2MEN1KMT2AALDH1A1

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-4749084-A Tamper-indicating package with randomly disposed filaments MINNESOTA MINING AND MANUFACTURING CO. (US) 1988-06-07 US disclosed