SCHEMBL28477489

SCHEMBL28477489

COC(C)(C)C(=O)c1ccc(OCCOC2CCCCO2)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HRH3 Q9Y5N1 3/20 0.41
KDM4C Q9H3R0 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 2/20 0.38
GPR119 Q8TDV5 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL28475387 0.89 MEN1 (0.65) MEN1KMT2ANPC1RAB9AHRH3
SCHEMBL18417689 0.86 MEN1 (0.61) MEN1KMT2ANPC1RAB9AHRH3
SCHEMBL2980200 0.86 KMT2A (0.67) MEN1KMT2ANPC1RAB9AHRH3
SCHEMBL1930907 0.85 MEN1 (0.70) MEN1KMT2ANPC1RAB9AHRH3
SCHEMBL1813642 0.85 MEN1 (0.73) MEN1KMT2ANPC1RAB9AHRH3
SCHEMBL2981986 0.84 MEN1 (0.88) MEN1KMT2ANPC1RAB9AHRH3
SCHEMBL16097702 0.81 MEN1 (0.63) MEN1KMT2ANPC1RAB9AHRH3
SCHEMBL8509832 0.80 MEN1 (0.65) MEN1KMT2ANPC1RAB9AHRH3
SCHEMBL19504615 0.80 MEN1 (0.72) MEN1KMT2ANPC1RAB9AHRH3
SCHEMBL12768508 0.80 MEN1 (0.76) MEN1KMT2ANPC1RAB9AHRH3

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
CN-107531904-B Polyimide precursor, and liquid crystal aligning agent, liquid crystal alignment film and liquid crystal display element containing the same 日产化学工业株式会社 2020-10-30 CN disclosed