SCHEMBL6651463

SCHEMBL6651463

CC1=C(c2cccc3ccccc23)c2c(cccc2[Si](C)(C)c2cccc3c2C(c2cccc4ccccc24)=C(C)[CH]3)[CH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.38
ENPP3 O14638 1/20 0.37
ENPP1 P22413 1/20 0.37
ALOX15 P16050 2/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
KDM4E B2RXH2 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
MAPK1 P28482 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
ATM Q13315 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL5081775 0.78 ALDH1A1 (0.38) DHFRALDH1A1HPGDMAPTPOLB
SCHEMBL4622945 0.78 ALDH1A1 (0.38) DHFRALDH1A1HPGDMAPTPOLB
SCHEMBL714807 0.78 ALDH1A1 (0.42) DHFRENPP3ENPP1MAOAMAOB
SCHEMBL6237071 0.77 DHFR (0.40) DHFRENPP3ENPP1ALOX15MAOA
SCHEMBL8154866 0.74 MAOA (0.39) DHFRENPP3ENPP1MAOAMAOB
SCHEMBL5599459 0.72 DHFR (0.41) DHFRENPP3ENPP1MAOAMAOB
SCHEMBL7030492 0.69 DHFR (0.38) DHFRENPP3ENPP1MAOAMAOB
SCHEMBL14600076 0.68 ALDH1A1 (0.48) ALOX15TDP1ALDH1A1HPGDTSHR
SCHEMBL5691721 0.68 DNMT1 (0.39) DHFRMAOAMAOBKDM4EALDH1A1
SCHEMBL5689656 0.68 KDM4E (0.38) DHFRALOX15MAOAMAOBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002016019-A9 METHOD FOR MEASURING THE LEVEL OF A MEDIUM IN A REACTOR BASELL POLIOLEFINE SPA (IT) 2004-05-13 WO disclosed
EP-1219657-A1 POLYARYLENE AND METHOD FOR PRODUCTION THEREOF Japan Science and Technology Corporation (JP) 2002-07-03 EP disclosed
EP-1090049-A1 PROPYLENE TERPOLYMERS WITH A LOW EXTRACTABLE PORTION Basell Polyolefine GmbH (DE) 2001-04-11 EP disclosed
EP-0968234-A1 SUPPORTED CATALYST SYSTEM FOR POLYMERIZING ALK-1-ENES BASF AKTIENGESELLSCHAFT (DE) 2000-01-05 EP disclosed
WO-1999067307-A1 PROPYLENE TERPOLYMERS WITH A LOW EXTRACTABLE PORTION TARGOR GMBH (DE) 1999-12-29 WO disclosed
WO-1998040418-A1 SUPPORTED CATALYST SYSTEM FOR POLYMERIZING ALK-1-ENES BASF AKTIENGESELLSCHAFT (DE) 1998-09-17 WO disclosed