SCHEMBL7997358

SCHEMBL7997358

Cc1c(CCl)cccc1OCCNC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
PKM P14618 1/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 1/20 0.45
MTNR1A P48039 3/20 0.44
MTNR1B P49286 2/20 0.44
HTR1B P28222 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
HRH1 P35367 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL7995439 0.87 KDM4E (0.49) MEN1KMT2APKMALDH1A1KDM4E
SCHEMBL7995494 0.84 SCN9A (0.48) MEN1KMT2APKM
SCHEMBL7996100 0.78 HTR1B (0.42) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL7983560 0.77 NPSR1 (0.63) MEN1KMT2AALDH1A1HPGDNPC1
SCHEMBL7963964 0.77 LMNA (0.46) MEN1KMT2AALDH1A1KDM4ENPC1
SCHEMBL7984304 0.77 STING1 (0.49) ALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL8001602 0.75 ALDH1A1 (0.38) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL7024493 0.75 MEN1 (0.49) MEN1KMT2APKMALDH1A1KDM4E
SCHEMBL31361958 0.74 SMN1; SMN2 (0.42) MEN1KMT2AKDM4EHPGDHTR1B
SCHEMBL7072684 0.74 MTNR1A (0.77) KMT2AHPGDMTNR1AMTNR1BNPC1

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-2001034578-A1 COMPOUNDS WITH ANTI-HELICOBACTER PYLORI ACTIVITY ASTRAZENECA AB (SE) 2001-05-17 WO disclosed