SCHEMBL2468010

SCHEMBL2468010

Cc1cc(Oc2ccc(F)cc2)cc(C)c1CC=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 2/20 0.38
SOS1 Q07889 1/20 0.38
HSPB1 P04792 1/20 0.38
HPGD P15428 1/20 0.37
MAPK14 Q16539 1/20 0.37
LIPG Q9Y5X9 2/20 0.35
S1PR2 O95136 2/20 0.35
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
KCNH2 Q12809 1/20 0.35
F2 P00734 2/20 0.35
PRSS1 P07477 2/20 0.35
PRSS2 P07478 2/20 0.35
PRSS3 P35030 2/20 0.35

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
SCHEMBL2464188 0.85 LTA4H (0.41) CYP1A2CYP2C19L3MBTL1ALDH1A1CYP3A4
SCHEMBL14992587 0.85 LTA4H (0.42) L3MBTL1HPGDMAPK14LTA4H
SCHEMBL2467657 0.83 LTA4H (0.41) L3MBTL1HPGDMAPK14LTA4H
SCHEMBL2464598 0.83 MAPK14 (0.42) L3MBTL1MAPK14HTR2ASLC6A4KCNH2
SCHEMBL2464179 0.83 SMN1; SMN2 (0.40) CYP2C19CARM1PRMT6ALDH1A1HPGD
SCHEMBL14992928 0.82 TAAR1 (0.38) CYP1A2CYP2C19ALDH1A1S1PR2LTA4H
SCHEMBL14992485 0.81 ALDH1A3 (0.45) ALDH1A1HPGD
SCHEMBL14992341 0.79 KDM4E (0.38) CYP1A2CYP2C19ALDH1A1HPGDLTA4H
SCHEMBL14993376 0.78 LTA4H (0.37) CYP1A2CYP2C19ALDH1A1HPGDLTA4H
SCHEMBL5563797 0.77 LTA4H (0.47) L3MBTL1ALDH1A1CYP3A4SOS1HSPB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2785714-A1 IMPROVED MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR Taivex Therapeutics Corporation (TW) 2014-10-08 EP disclosed
WO-2013082324-A1 IMPROVED MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR TAIVEX THERAPEUTICS CORPORATION (TW) 2013-06-06 WO disclosed
EP-2547676-A2 MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR Taivex Therapeutics Inc. (TW) 2013-01-23 EP disclosed
WO-2011115998-A2 MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR TAIVEX THERAPEUTICS INC. (CN) 2011-09-22 WO disclosed