SCHEMBL28044210

SCHEMBL28044210

CC(C)(C)C(=O)OCc1ccoc1C=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
GLA P06280 1/20 0.38
NPC1 O15118 5/20 0.35
L3MBTL1 Q9Y468 4/20 0.33
RAB9A P51151 4/20 0.33
KMT2A Q03164 2/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 2/20 0.33
PKM P14618 1/20 0.33
APEX1 P27695 1/20 0.33

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
SCHEMBL132741 0.83 ALDH1A1 (0.47) ALDH1A1KDM4EL3MBTL1CYP1A2CYP2C19
SCHEMBL4136310 0.80 ALDH1A1 (0.36) ALDH1A1KDM4EGLAL3MBTL1KMT2A
SCHEMBL1916524 0.78 ALDH1A1 (0.32) ALDH1A1L3MBTL1
SCHEMBL28015235 0.78
SCHEMBL527183 0.75 HSD17B3 (0.32) L3MBTL1TDP1POLB
SCHEMBL2304698 0.75 ALDH1A1 (0.31) ALDH1A1
SCHEMBL527563 0.72
SCHEMBL2497913 0.72 SRC (0.33)
Water SCHEMBL4228027 0.71 KDM4E (0.32) ALDH1A1KDM4E
SCHEMBL28054237 0.71 ALDH1A3 (0.31)

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-105143211-A Catalytic synthesis of reduced furan derivatives ARCHER DANIELS MIDLAND CO 2015-12-09 CN disclosed