SCHEMBL28297783

SCHEMBL28297783

CCOC(=O)C(C(=O)OCC)[C@@H](Cc1c(F)ccc(F)c1F)[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 6/20 0.34
MEN1 O00255 1/20 0.34
FBP1 P09467 1/20 0.34
KDM4E B2RXH2 3/20 0.33
LMNA P02545 3/20 0.33
GAA P10253 2/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ADORA3 P0DMS8 1/20 0.32

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
SCHEMBL20002727 0.77 MMP8 (0.41) L3MBTL1KMT2AALDH1A1MEN1KDM4E
SCHEMBL28297780 0.76 NPC1 (0.35) MAPTCRHBPCRHR2L3MBTL1KMT2A
SCHEMBL27829606 0.75 MMP8 (0.50) ALDH1A1SMN1; SMN2
SCHEMBL28331075 0.75 MMP8 (0.50) ALDH1A1SMN1; SMN2
SCHEMBL28332593 0.73 MME (0.40) MAPTCRHBPCRHR2L3MBTL1KMT2A
SCHEMBL21527822 0.71 ALDH1A1 (0.41) MAPTCRHBPCRHR2L3MBTL1ALDH1A1
SCHEMBL21527820 0.71 ALDH1A1 (0.41) MAPTCRHBPCRHR2L3MBTL1ALDH1A1
SCHEMBL28707321 0.69 CES2 (0.32) ALDH1A1SMN1; SMN2
SCHEMBL3393064 0.68 L3MBTL1 (0.43) MAPTCRHBPCRHR2L3MBTL1KMT2A
SCHEMBL7494802 0.67 NLRP3 (0.42) MAPTL3MBTL1KMT2AALDH1A1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109715633-A Dopamine-B-hydroxylase inhibitors 巴尔-波特拉及康邦亚股份有限公司 2019-05-03 CN disclosed
CN-109715155-A blood brain barrier-penetrating agent dopamine- β -hydroxylase inhibitors 巴尔-波特拉及康邦亚股份有限公司 2019-05-03 CN disclosed