SCHEMBL8019381

SCHEMBL8019381

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
MMP13 P45452 2/20 0.36
MMP9 P14780 1/20 0.36
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
FAAH O00519 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
CTSK P43235 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
Tetramethylammonium Ion SCHEMBL8006459 0.96 MEN1 (0.35) MEN1KMT2AMMP13MMP9TAS1R3
SCHEMBL8018671 0.95 MMP9 (0.39) MEN1KMT2AMMP13MMP9TAS1R3
Tetramethylammonium Ion SCHEMBL2850966 0.91 MEN1 (0.37) MEN1KMT2AMMP13MMP9TAS1R3
SCHEMBL8019378 0.89 MMP13 (0.37) MEN1KMT2AMMP13MMP9TAS1R3
SCHEMBL25409960 0.88 LMNA (0.39) MEN1KMT2AALDH1A1HDAC3HDAC1
SCHEMBL8016538 0.86 FAAH (0.35) MEN1KMT2AFAAHALDH1A1HDAC3
SCHEMBL25406912 0.86 CYP1A2 (0.36) MEN1KMT2AFAAHALDH1A1TSHR
SCHEMBL1618141 0.86 MIF (0.38) ALDH1A1TDP1TSHRMAPK1L3MBTL1
SCHEMBL8018667 0.84 SLC2A1 (0.39) MEN1KMT2AMMP13MMP9TAS1R3
SCHEMBL810138 0.83 CTSK (0.38) MEN1KMT2AALDH1A1CTSK

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