SCHEMBL6890847

SCHEMBL6890847

COCOc1ccc(B(O)O)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 4/20 0.40
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
LPL P06858 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
KDR P35968 1/20 0.32
KDM1A O60341 2/20 0.32
PTPN1 P18031 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32

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
SCHEMBL1823994 0.85 KDR (0.44) ENPP2CA1CA2HTTKDR
SCHEMBL29825639 0.83 KDM1A (0.46) ENPP2HTTRAB9ALPLLIPG
SCHEMBL8351 0.83 KDM1A (0.46) ENPP2HTTRAB9ALPLLIPG
SCHEMBL5247264 0.81 ENPP2 (0.44) ENPP2CA1CA2MAPK1KDR
SCHEMBL29955098 0.81 ENPP2 (0.44) ENPP2CA1CA2KDRTUBB4A
SCHEMBL23217 0.80 HTT (0.50) ENPP2CA1CA2LMNAMAPK1
SCHEMBL28686847 0.80 ENPP2 (0.61) ENPP2CA1CA2LMNAMAPK1
SCHEMBL177284 0.80 MAPT (0.40) ENPP2CA1CA2HTTLPL
SCHEMBL29408089 0.80 ENPP2 (0.61) ENPP2CA1CA2LMNAMAPK1
SCHEMBL3589392 0.79 ENPP2 (0.37) ENPP2LPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-114127066-A Inhibitors of indoleamine 2, 3-dioxygenase and/or tryptophan 2, 3-dioxygenase 爱杜西亚药品有限公司 2022-03-01 CN disclosed
EP-0945418-B1 LIQUID CRYSTAL COMPOUNDS EXHIBITING NEGATIVE ANISOTROPY OF PERMITTIVITY, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAYS CHISSO CORP (JP) 2004-04-07 EP disclosed
US-6210761-B1 HIGH VOLTAGE HOLDING RATIO AND A LOW THRESHOLD VOLTAGE, ARE REMARKABLY SMALL IN THEIR DEPENDENCY ON TEMPERATURE, HARDLY EXHIBIT SMECTIC PHASE, AND ARE EXCELLENT IN MISCIBILITY WITH OTHER LIQUID CRYSTAL MATERIALS CHISSO CORPORATION (JP) 2001-04-03 US disclosed
EP-0945418-A1 LIQUID CRYSTAL COMPOUNDS EXHIBITING NEGATIVE ANISOTROPY OF PERMITTIVITY, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAYS CHISSO CORPORATION (JP) 1999-09-29 EP disclosed
US-5702642-A ACRYLIC ESTER POLYMERS; BRIGHTNESS IN ABSENCE OF ELECTRIC VOLTAGE SHARP KABUSHIKI KAISHA (JP) 1997-12-30 US disclosed
US-5645760-A Polymeric compounds, and liquid crystal element using the same SHARP KABUSHIKI KAISHA (JP) 1997-07-08 US disclosed