SCHEMBL4596009

SCHEMBL4596009

CCCC(c1ccc(-c2ccccc2)cc1O)c1ccc(-c2ccccc2)cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.50
COMT P21964 1/20 0.46
HNF4A P41235 2/20 0.43
ACMSD Q8TDX5 2/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALOX15 P16050 2/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 2/20 0.42
KMT2A Q03164 2/20 0.42
ESR2 Q92731 2/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
HSP90AA1 P07900 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
ALOX12 P18054 1/20 0.42

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
SCHEMBL4596274 0.86 ALOX5 (0.50) ALOX5COMTHNF4AACMSDNPC1
SCHEMBL2094520 0.83 ALOX5 (0.43) ALOX5COMTHNF4AACMSDNPC1
SCHEMBL51054 0.78 ALOX5 (0.57) ALOX5HNF4AACMSDALOX15HPGD
SCHEMBL4596678 0.78 TYR (0.50) ALOX5ALOX15MEN1HTTKMT2A
SCHEMBL17878569 0.78 ALOX5 (0.57) ALOX5HNF4AACMSDALOX15HPGD
SCHEMBL3001397 0.77 TSHR (0.57) COMTNPC1RAB9AALOX15HPGD
SCHEMBL4595527 0.77 TRPA1 (0.57) ALOX15HPGDMEN1ALDH1A1HTT
SCHEMBL6881260 0.76 MGLL (0.42) ALOX5COMTHNF4AACMSDALOX15
SCHEMBL22888664 0.76 ALOX5 (0.46) ALOX5COMTHNF4AACMSDNPC1
SCHEMBL4948052 0.76 ACMSD (0.47) ALOX5HNF4AACMSDHPGDKDM4E

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