SCHEMBL2604971

SCHEMBL2604971

Cc1c(O)ccc2c1OC(=O)CC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.39
ESR2 Q92731 5/20 0.39
TYR P14679 1/20 0.38
CNR2 P34972 1/20 0.38
KDM4E B2RXH2 3/20 0.37
MAPK1 P28482 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
GAA P10253 2/20 0.37
GLA P06280 1/20 0.37
MAOA P21397 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL28588513 0.83 PSMB5 (0.42) TSHR
SCHEMBL6836726 0.83 KDM4E (0.53) KDM4EALDH1A1HPGDTSHRHDAC3
SCHEMBL10058464 0.80 AKT1 (0.39) ESR1ESR2TYRKDM4EMAPK1
SCHEMBL6835901 0.79 KDM4E (0.35) KDM4EALDH1A1HPGDTDP1TSHR
SCHEMBL14192255 0.76 TSHR (0.42) KDM4EALDH1A1HPGDTSHRALDH2
SCHEMBL16283615 0.76 PTGS1 (0.41) TYRALDH1A1MAOAHSD17B10MAPT
SCHEMBL28426229 0.74 PTPN1 (0.50) ESR1ESR2TYRKDM4EGAA
SCHEMBL5539003 0.73 ESR1 (0.44) ESR1ESR2CNR2KDM4EMAPK1
SCHEMBL834241 0.72 ALDH2 (0.37) KDM4EALDH1A1HPGDL3MBTL1TSHR
SCHEMBL10158247 0.70 ESR1 (0.42) ESR1ESR2CNR2KDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158719-B2 Benzoxazine-formulations with reduced outgassing behaviour HENKEL AG & CO. KGAA (DE) 2012-04-17 US disclosed
US-8158719-B2 Benzoxazine-formulations with reduced outgassing behaviour HENKEL AG & CO. KGAA (DE) 2012-04-17 US disclosed
US-20100099818-A1 BENZOXAZINE-FORMULATIONS WITH REDUCED OUTGASSING BEHAVIOUR HENKEL AG & CO. KGAA (DE) 2010-04-22 US disclosed
US-20100099818-A1 BENZOXAZINE-FORMULATIONS WITH REDUCED OUTGASSING BEHAVIOUR HENKEL AG & CO. KGAA (DE) 2010-04-22 US disclosed
WO-2008151946-A1 ADHESIVE COMPOSITIONS HENKEL AG & CO. KGAA (DE) 2008-12-18 WO disclosed