SCHEMBL29639834

SCHEMBL29639834

CC(O)(c1nc2ccccc2o1)C(C)(O)c1nc2ccccc2o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
RAB9A P51151 6/20 0.47
NPC1 O15118 5/20 0.47
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
KMT2A Q03164 2/20 0.46
PSMB8 P28062 1/20 0.44
KDM6B O15054 1/20 0.44
KDM6A O15550 1/20 0.44
ELANE P08246 1/20 0.43
TP53 P04637 3/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
TNF P01375 1/20 0.42
PKM P14618 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL23207497 1.00 MAPT (0.47) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL1792867 0.86 ELANE (0.58) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL29226418 0.84 ALDH1A1 (0.44) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL29226423 0.84 ALDH1A1 (0.44) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL34471230 0.82 MAPT (0.46) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL13499117 0.81 ELANE (0.45) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL31292250 0.80 RAB9A (0.48) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL29226401 0.80 RAB9A (0.44) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL29226399 0.80 RAB9A (0.44) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL13081227 0.79 RAB9A (0.47) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2

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-114503199-A Data storage method and composition 住友化学株式会社 2022-05-13 CN disclosed