SCHEMBL9737624

SCHEMBL9737624

C=CCc1ccc(COc2ccccc2O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.63
ALDH1A1 P00352 4/20 0.49
CYP3A4 P08684 3/20 0.49
ALOX5 P09917 1/20 0.49
AR P10275 1/20 0.49
PTGS1 P23219 1/20 0.49
TRPM8 Q7Z2W7 1/20 0.49
MAPT P10636 4/20 0.47
GAA P10253 3/20 0.47
JAK2 O60674 1/20 0.47
LMNA P02545 1/20 0.47
XDH P47989 1/20 0.44
KMT2A Q03164 3/20 0.43
RAB9A P51151 2/20 0.43
GABRA1 P14867 2/20 0.43
GABRB2 P47870 2/20 0.43
MEN1 O00255 2/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH2 P05091 1/20 0.43

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
SCHEMBL2030039 0.83 ALDH1A1 (0.60) APPALDH1A1CYP3A4ALOX5AR
SCHEMBL8960607 0.82 APP (0.76) APPALDH1A1PTGS1MAPTGAA
SCHEMBL130119 0.80 APP (0.72) APPALDH1A1PTGS1MAPTGAA
SCHEMBL10689679 0.80 HTR1A (0.48) APPALDH1A1PTGS1MAPTGAA
SCHEMBL18429723 0.77 APP (1.00) APPMAPTGAAJAK2LMNA
SCHEMBL28073298 0.77 APP (0.69) APPMAPTGAAJAK2LMNA
SCHEMBL11078412 0.77 APP (0.69) APPALDH1A1CYP3A4MAPTGAA
SCHEMBL9625666 0.77 HTR1A (0.56) ALDH1A1MAPTLMNAKDM4EHTR1A
SCHEMBL9094178 0.77 ALDH1A1 (0.57) APPALDH1A1CYP3A4ALOX5AR
SCHEMBL9736605 0.76 KMT2A (0.56) ALDH1A1CYP3A4ALOX5ARPTGS1

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
US-5149462-A Used as ferroelectric liquid crystal MITSUBISHI RAYON COMPANY LTD. (JP) 1992-09-22 US disclosed
EP-0409066-A2 Optically active compound for liquid crystal and its use MITSUBISHI RAYON COMPANY, LTD. (JP) 1991-01-23 EP disclosed