SCHEMBL2470125

SCHEMBL2470125

Cc1cc(O)cc(C)c1CC=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.41
CHRM1 P11229 1/20 0.41
ALOX15 P16050 1/20 0.41
MAOA P21397 1/20 0.41
TBXA2R P21731 1/20 0.41
ADRA1A P35348 1/20 0.41
HTR2B P41595 1/20 0.41
APP P05067 1/20 0.40
MAOB P27338 1/20 0.40
ACHE P22303 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.35
OPRM1 P35372 2/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
PGK1 P00558 1/20 0.33
PGK2 P07205 1/20 0.33
MEN1 O00255 1/20 0.33
HSP90AA1 P07900 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
SCHEMBL1124861 0.81 HRH3 (0.36) SMN1; SMN2ALDH1A1PGK1PGK2MEN1
SCHEMBL28938963 0.77 CYP3A4 (0.41) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL2464817 0.77 P2RX7 (0.33) ALDH1A1ERN1
SCHEMBL3125416 0.77 HTR1D (0.37) SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL2467191 0.77 ALDH1A1 (0.36) ALDH1A1
SCHEMBL2463078 0.77
SCHEMBL6262244 0.77 PTPN1 (0.40) APPMAOBACHESMN1; SMN2TDP1
SCHEMBL742431 0.76 SLC28A3 (0.38) CYP3A4MAOAAPPMAOBALDH1A1
SCHEMBL11177902 0.76 MAOB (0.58) MAOAAPPMAOBMEN1KMT2A
SCHEMBL21495042 0.76 HTR1D (0.50) CYP3A4CHRM1ADRA1AHTR2BTDP1

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