SCHEMBL6827458

SCHEMBL6827458

CCOC(=O)C1(c2ccc([N+](=O)[O-])cc2F)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
ALDH1A1 P00352 5/20 0.47
LMNA P02545 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.43
KMT2A Q03164 7/20 0.41
MEN1 O00255 5/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPC1 O15118 1/20 0.40
MTOR P42345 1/20 0.40
RAB9A P51151 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
GPR174 Q9BXC1 1/20 0.40
OPRM1 P35372 1/20 0.39

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
SCHEMBL1769439 0.85 ALDH1A1 (0.47) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL31442821 0.81 KDM4E (0.47) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL6607686 0.80 MAPT (0.41) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL27178872 0.76 ALDH1A1 (0.56) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL7840126 0.76 MEN1 (0.50) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL994347 0.74 ALDH1A1 (0.68) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL29536266 0.74 ALDH1A1 (0.68) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL23783057 0.74 ALDH1A1 (0.50) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL30207467 0.74 ALDH1A1 (0.50) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL10189346 0.73 MAPT (0.60) MAPTALDH1A1LMNASMN1; SMN2KMT2A

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
WO-2004058727-A1 SUBSTITUTED 3,5-DIHYDRO-4H-IMIDAZOL-4-ONES FOR THE TREATMENT OF OBESITY BAYER PHARMACEUTICALS CORPORATION (US) 2004-07-15 WO disclosed