SCHEMBL8018667

SCHEMBL8018667

CCCCCCC(c1ccc(OC)cc1)C(OB(OC(c1ccc(OC)cc1)(c1ccc(OC)cc1)C(CCCCCC)c1ccc(OC)cc1)OC(c1ccc(OC)cc1)(c1ccc(OC)cc1)C(CCCCCC)c1ccc(OC)cc1)(c1ccc(OC)cc1)c1ccc(OC)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.39
MMP13 P45452 5/20 0.38
MMP9 P14780 4/20 0.38
ADAM17 P78536 4/20 0.38
MMP1 P03956 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
FAAH O00519 1/20 0.33
GRM2 Q14416 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
SCHEMBL8019378 0.94 MMP13 (0.37) SLC2A1MMP13MMP9MMP1MEN1
SCHEMBL8018671 0.90 MMP9 (0.39) SLC2A1MMP13MMP9ADAM17MMP1
Tetramethylammonium Ion SCHEMBL2850966 0.86 MEN1 (0.37) SLC2A1MMP13MMP9ADAM17MMP1
SCHEMBL8019381 0.84 MEN1 (0.36) MMP13MMP9MMP1MEN1KMT2A
SCHEMBL8023300 0.83 MEN1 (0.38) SLC2A1MMP9MMP1MEN1KMT2A
SCHEMBL5528717 0.83 ALDH1A1 (0.40) SLC2A1ALDH1A1TSHRMAPK1TDP1
SCHEMBL8016468 0.82 MEN1 (0.37) MEN1KMT2AMMP2MMP3
SCHEMBL6432428 0.81 SLC2A1 (0.43) SLC2A1MMP13MMP9ADAM17MMP1
SCHEMBL8016536 0.81 FAAH (0.34) SLC2A1MEN1KMT2AALDH1A1TSHR
Tetramethylammonium Ion SCHEMBL8006461 0.81 MMP13 (0.39) SLC2A1MMP13MMP9ADAM17MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6096794-A PHOTOINITIATOR SYSTEM FOR PHOTOPOLYMERIZATION OF ETHYLENICALLY UNSATURATED POLYMERIZABLE COMPOUNDS CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-08-01 US disclosed
US-6090865-A PHOTOINITIATOR SYSTEM COMPRISING (A) AT LEAST ONE O-ALKYLATED AROMATIC NITROGEN-HETEROCYCLE AMINE OXIDE CATION SALT AND (B) AT LEAST ONE ELECTRON DONOR COMPOUND. CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-07-18 US disclosed
EP-0896587-A1 POLYMERISABLE COMPOSITION Ciba SC Holding AG (CH) 1999-02-17 EP disclosed
WO-1997042227-A1 POLYMERISABLE COMPOSITION CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1997-11-13 WO disclosed