SCHEMBL8019378

SCHEMBL8019378

CCCCC(c1ccc(OC)cc1)C(OB(OC(c1ccc(OC)cc1)(c1ccc(OC)cc1)C(CCCC)c1ccc(OC)cc1)OC(c1ccc(OC)cc1)(c1ccc(OC)cc1)C(CCCC)c1ccc(OC)cc1)(c1ccc(OC)cc1)c1ccc(OC)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.37
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
MMP9 P14780 1/20 0.35
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
FAAH O00519 1/20 0.34
SLC2A1 P11166 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
CYP1A2 P05177 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
SCHEMBL8018667 0.94 SLC2A1 (0.39) MMP13ALDH1A1TSHRMAPK1TDP1
SCHEMBL8019381 0.89 MEN1 (0.36) MMP13ALDH1A1TSHRMAPK1TDP1
SCHEMBL8016536 0.86 FAAH (0.34) ALDH1A1TSHRMAPK1MEN1KMT2A
Tetramethylammonium Ion SCHEMBL8006461 0.85 MMP13 (0.39) MMP13ALDH1A1TSHRMAPK1TDP1
Tetramethylammonium Ion SCHEMBL8006459 0.85 MEN1 (0.35) MMP13ALDH1A1TDP1MEN1KMT2A
SCHEMBL5528717 0.85 ALDH1A1 (0.40) ALDH1A1TSHRMAPK1TDP1L3MBTL1
SCHEMBL8018671 0.84 MMP9 (0.39) MMP13ALDH1A1MEN1KMT2AMMP9
SCHEMBL7666676 0.82 CTSK (0.37) ALDH1A1MEN1KMT2ACTSK
Tetramethylammonium Ion SCHEMBL2850966 0.81 MEN1 (0.37) MMP13ALDH1A1MEN1KMT2AMMP9
SCHEMBL8018578 0.79 MTNR1A (0.37) L3MBTL1CTSK

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