SCHEMBL4530065

SCHEMBL4530065

CCCCCCCCCCCCOc1cc(B2OC(C)(C)C(C)(C)O2)c(OCCCCCCCCCCCC)cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 6/20 0.45
LIPG Q9Y5X9 6/20 0.45
ESR1 P03372 2/20 0.36
TLR8 Q9NR97 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NR1I2 O75469 1/20 0.35
LMNA P02545 1/20 0.35
CHRM2 P08172 1/20 0.35
CYP3A4 P08684 1/20 0.35
ADRA2A P08913 1/20 0.35
MAPT P10636 1/20 0.35
OPRK1 P41145 1/20 0.35
HTR2B P41595 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CHUK O15111 1/20 0.35
DAPK3 O43293 1/20 0.35
JAK2 O60674 1/20 0.35
ROCK2 O75116 1/20 0.35

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
SCHEMBL2949499 1.00 LPL (0.45) LPLLIPGESR1TLR8MEN1
SCHEMBL2956576 1.00 LPL (0.45) LPLLIPGESR1TLR8MEN1
SCHEMBL14282522 0.86 LPL (0.38) LPLLIPGESR1TLR8
SCHEMBL2867772 0.86 LPL (0.52) LPLLIPGESR1TLR8
SCHEMBL15509385 0.86 LPL (0.43) LPLLIPGTSHRNR5A1TP53
SCHEMBL13429494 0.84 LPL (0.42) LPLLIPGESR1MEN1KMT2A
SCHEMBL22748290 0.83 LPL (0.40) LPLLIPGESR1TLR8CHUK
SCHEMBL20819729 0.81 LPL (0.38) LPLLIPGESR1TLR8MEN1
SCHEMBL22748469 0.81 LPL (0.43) LPLLIPGESR1MEN1KMT2A
SCHEMBL4262878 0.80 CYP19A1 (0.34) TLR8MEN1KMT2ANR1I2LMNA

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-8217136-B2 Process for preparing thieno[3,4-B] pyrazine copolymers,thieno[3,4-B]—pyrazine copolymers prepared by this process, and their use Thüringisches Institut für Textil-und Kunststoff-Forschung E.V. (DE) 2012-07-10 US disclosed
US-20090227763-A1 Process for Preparing Thieno[3,4-B] Pyrazine Copolymers,Thieno[3,4-B]- Pyrazine Copolymers Prepared by this Process, and their use THURINGISCHES INSTITUT FUR TEXTIL-UND KUNSTSTOFF-FORSCHUNG E.V. (DE) 2009-09-10 US disclosed
EP-1999760-A1 PROCESS FOR PREPARING THIENOÝ3,4-B¨PYRAZINE COPOLYMERS, THIENOÝ3,4-B¨-PYRAZINE COPOLYMERS PREPARED BY THIS PROCESS, AND THEIR USE THÜRINGISCHES INSTITUT FÜR TEXTIL- UND KUNSTSTOFF-FORSCHUNG E.V. (DE) 2008-12-10 EP disclosed
WO-2007110062-A1 PROCESS FOR PREPARING THIENO[3,4-B]PYRAZINE COPOLYMERS, THIENO[3,4-B]-PYRAZINE COPOLYMERS PREPARED BY THIS PROCESS, AND THEIR USE Thüringisches Institut für Textil- und Kunststoff-Forschung e.V. (DE) 2007-10-04 WO disclosed