SCHEMBL7796542

SCHEMBL7796542

BOC(CCc1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.47
TDO2 P48775 2/20 0.47
F2 P00734 1/20 0.44
PRSS1 P07477 1/20 0.44
ACP3 P15309 1/20 0.44
KCNH2 Q12809 3/20 0.43
SLC6A4 P31645 3/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A3 Q01959 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CYP19A1 P11511 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ANPEP P15144 2/20 0.38

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
SCHEMBL7799312 0.89 KCNH2 (0.46) IDO1TDO2KCNH2SLC6A4SLC6A2
SCHEMBL28902075 0.83 IDO1 (0.50) IDO1TDO2F2PRSS1ACP3
SCHEMBL3950653 0.80 IDO1 (0.47) IDO1TDO2F2PRSS1ACP3
SCHEMBL7707362 0.80 IDO1 (0.47) IDO1TDO2F2PRSS1ACP3
SCHEMBL3481822 0.80 IDO1 (0.47) IDO1TDO2F2PRSS1ACP3
SCHEMBL1520876 0.80 IDO1 (0.69) IDO1TDO2F2PRSS1ACP3
SCHEMBL7800334 0.79 SLC6A2 (0.44) IDO1ACP3KCNH2SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL14686349 0.78 IDO1 (0.71) IDO1TDO2F2PRSS1ACP3
SCHEMBL11171697 0.76 PPARG (0.49) IDO1TDO2ACP3PPARGPPARA
SCHEMBL706838 0.76 IDO1 (0.44) IDO1TDO2F2PRSS1ACP3

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-0808849-B1 Process for the production of ethylenic polymers SHOWA DENKO KK (JP) 2001-12-19 EP disclosed
US-6011127-A CATALYST COMPRISING A CHROMIUM COMPOUND, AN ALUMOXANE AND AN ORGANOMETALLIC ALKOXIDE AND/OR ORGANOMETALLIC SILOXIDE AND A CARRIER SUPPORTING THEREON THESE COMPOUNDS. SHOWA DENKO K.K. (JP) 2000-01-04 US disclosed
EP-0808849-A1 Process for the production of ethylenic polymers SHOWA DENKO KABUSHIKI KAISHA (JP) 1997-11-26 EP disclosed