SCHEMBL4833131

SCHEMBL4833131

CC(OCCBr)Oc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
GAA P10253 2/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
LMNA P02545 1/20 0.37
KCNA3 P22001 1/20 0.35
SLC6A4 P31645 1/20 0.35
MAOA P21397 2/20 0.34
PTGS1 P23219 1/20 0.34
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33
CYP2C19 P33261 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 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
SCHEMBL4191032 0.82 LTA4H (0.41) KDM4EGAAMTNR1AMTNR1BLMNA
SCHEMBL9440336 0.81 ALDH1A1 (0.50) KDM4EGAAMTNR1AMTNR1BLMNA
SCHEMBL11447473 0.81 KDM4E (0.39) KDM4EGAAMTNR1AMTNR1BLMNA
SCHEMBL4276749 0.81 KDM4E (0.39) KDM4EGAAMTNR1AMTNR1BLMNA
SCHEMBL2742278 0.79 NPC1 (0.41) KDM4EGAASIGMAR1
SCHEMBL10998787 0.79 LTA4H (0.52) GAALMNAKCNA3SLC6A4MAOA
SCHEMBL10998789 0.79 LTA4H (0.52) GAALMNAKCNA3SLC6A4MAOA
Ethylene SCHEMBL27857509 0.78 KDM4E (0.37) KDM4EGAAMTNR1AMTNR1BLMNA
SCHEMBL7611809 0.78 LTA4H (0.34) GAAMTNR1AMTNR1BKCNA3SLC6A4
SCHEMBL2127445 0.78 TAAR1 (0.42) KDM4EGAAKCNA3

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-2008152653-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF TAMSULOSIN HYDROCHLORIDE MATRIX LABORATORIES LTD (IN) 2008-12-18 WO disclosed