SCHEMBL28859682

SCHEMBL28859682

CC(C)(CC1CCCO1)[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 4/20 0.35
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HPGD P15428 1/20 0.33
PKM P14618 1/20 0.33
HCAR3 P49019 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 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
SCHEMBL1980380 0.79 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL1267540 0.75 KMT2A (0.39) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL11537330 0.75 SLC6A2 (0.35)
SCHEMBL2625534 0.74 KMT2A (0.37) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL2625532 0.74 KMT2A (0.37) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL329518 0.74 KMT2A (0.38) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL2622404 0.74 KMT2A (0.37) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL10340048 0.71 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL23766537 0.71 KMT2A (0.35) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL8760246 0.71

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-108101870-A A kind of active ingredient of selective therapy glaucoma and its preparation method of associated salts 盐城师范学院 2018-06-01 CN disclosed