SCHEMBL4596274

SCHEMBL4596274

CCCC(c1cc(-c2ccccc2)ccc1O)c1cc(-c2ccccc2)ccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.50
COMT P21964 1/20 0.46
KDM4E B2RXH2 2/20 0.46
ALOX15 P16050 2/20 0.46
ESR2 Q92731 2/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
HSP90AA1 P07900 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP1A2 P05177 1/20 0.44
MGLL Q99685 1/20 0.43
ACMSD Q8TDX5 3/20 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
SCHEMBL4596009 0.86 ALOX5 (0.50) ALOX5COMTKDM4EALOX15ESR2
SCHEMBL22888664 0.85 ALOX5 (0.46) ALOX5COMTKDM4EALOX15ESR2
SCHEMBL51794 0.78 ALOX5 (0.57) ALOX5KDM4EALOX15ESR2MEN1
SCHEMBL4596473 0.78 ALOX15 (0.49) ALOX5ALOX15ESR2MEN1ALDH1A1
SCHEMBL8714891 0.78 ALOX5 (0.57) ALOX5KDM4EALOX15ESR2MEN1
SCHEMBL3001397 0.77 TSHR (0.57) COMTKDM4EALOX15ALDH1A1LMNA
SCHEMBL51005 0.77 CHRM1 (0.51) ALOX15MEN1ALDH1A1LMNAGAA
SCHEMBL5531058 0.76 ALOX5 (0.59) ALOX5KDM4EALOX15ESR2MEN1
SCHEMBL4596216 0.76 TYR (0.45) ALOX15ESR2MEN1LMNAGAA
SCHEMBL4595264 0.75 TRPA1 (0.53) ALOX5KDM4EALOX15ESR2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1437231-B1 DEVELOPER FOR THERMAL RECORDING MATERIAL AND THERMAL RECORDING MATERIALS API CORP (JP) 2008-01-09 EP disclosed
US-20040241598-A1 Developer for thermal recording material and thermal recording materials NIPPON PAPER INDUSTRIES CO., LTD. (JP) 2004-12-02 US disclosed
EP-1437231-A1 DEVELOPER FOR THERMAL RECORDING MATERIAL AND THERMAL RECORDING MATERIALS API Corporation (JP) 2004-07-14 EP disclosed