SCHEMBL6072903

SCHEMBL6072903

CCOC(=O)C(C(=O)OCC)c1cc(C(F)(F)F)ccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPD P32754 1/20 0.47
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
PKM P14618 1/20 0.45
MAPT P10636 3/20 0.44
LMNA P02545 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 2/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
AKR1B1 P15121 1/20 0.41
AKR1C4 P17516 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41

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
SCHEMBL6072863 0.90 HPD (0.50) HPDALDH1A1MEN1KMT2ACYP1A2
SCHEMBL997304 0.84 ALDH1A1 (0.49) HPDALDH1A1MEN1KMT2ACYP1A2
SCHEMBL31492417 0.83 ALDH1A1 (0.52) HPDALDH1A1MEN1KMT2ACYP1A2
SCHEMBL14334237 0.83 ALDH1A1 (0.50) ALDH1A1MEN1KMT2APKMMAPT
SCHEMBL2566726 0.82 ALDH1A1 (0.52) ALDH1A1KMT2ACYP3A4PKMMAPT
SCHEMBL7035878 0.81 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL25450873 0.80 ALDH1A1 (0.50) ALDH1A1MEN1KMT2APKMMAPT
SCHEMBL4715558 0.80 ALDH1A1 (0.50) ALDH1A1MEN1KMT2APKMMAPT
SCHEMBL997302 0.79 ALDH1A1 (0.59) HPDALDH1A1MEN1KMT2ACYP1A2
SCHEMBL8814509 0.79 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ACYP3A4CYP2C19

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-2006032987-A1 INDOLINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF ARTERIOSCLEROSIS PFIZER PRODUCTS INC. (US) 2006-03-30 WO disclosed