SCHEMBL8016478

SCHEMBL8016478

CCCCCC(c1ccccc1)C(OB(O)O)(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
ATM Q13315 1/20 0.38
MMP2 P08253 2/20 0.35
MMP3 P08254 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSH P09668 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
OPRM1 P35372 2/20 0.34
OPRD1 P41143 2/20 0.34
OPRK1 P41145 2/20 0.34
OPRL1 P41146 2/20 0.34
PCSK9 Q8NBP7 1/20 0.34
CSNK1E P49674 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PRSS1 P07477 1/20 0.34
CTSG P08311 1/20 0.34
CTRB1 P17538 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
SCHEMBL8023308 0.99 MEN1 (0.39) MEN1KMT2AATMMMP2MMP3
SCHEMBL810138 0.96 CTSK (0.38) MEN1KMT2AATMCTSLCTSB
Tetrabuthylammonium SCHEMBL19096924 0.91 CTSK (0.36) MEN1KMT2AATMMMP2MMP3
SCHEMBL8016468 0.89 MEN1 (0.37) MEN1KMT2AATMMMP2MMP3
SCHEMBL8023300 0.87 MEN1 (0.38) MEN1KMT2AATMMMP2MMP3
Tetrabuthylammonium SCHEMBL4807012 0.84 MEN1 (0.35) MEN1KMT2AATMMMP2MMP3
SCHEMBL7666676 0.84 CTSK (0.37) MEN1KMT2AATMCTSLCTSB
SCHEMBL532851 0.84 LMNA (0.39) MEN1KMT2AALDH1A1
SCHEMBL8018671 0.83 MMP9 (0.39) MEN1KMT2AMMP2MMP3ALDH1A1
SCHEMBL29031301 0.83 KCNH2 (0.36) MEN1KMT2AATMOPRM1OPRD1

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