SCHEMBL1774352

SCHEMBL1774352

O=C(O)C=Cc1ccc(CC2CO2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.49
ESR1 P03372 2/20 0.49
CA12 O43570 2/20 0.49
AKR1B10 O60218 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA3 P07451 2/20 0.49
AKR1B1 P15121 2/20 0.49
CA4 P22748 2/20 0.49
CA6 P23280 2/20 0.49
DPP4 P27487 2/20 0.49
CA5A P35218 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 0.49
CA5B Q9Y2D0 2/20 0.49
PKM P14618 1/20 0.49
TYR P14679 1/20 0.49
ESR2 Q92731 1/20 0.49
MGLL Q99685 1/20 0.48

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
SCHEMBL9077728 0.84 MAPT (0.57) PKMMGLLHDAC3HDAC4HDAC1
SCHEMBL14063106 0.82 MGLL (0.36) MGLLCYP3A4ALDH1A1ALOX5TDP1
SCHEMBL8734571 0.80 MGLL (0.36) MGLLALOX5
SCHEMBL2446412 0.77 MGLL (0.54) HCAR2ESR1CA12AKR1B10CA1
SCHEMBL2446409 0.77 MGLL (0.54) HCAR2ESR1CA12AKR1B10CA1
SCHEMBL28807889 0.76 RARB (0.62) HCAR2ESR1CA12AKR1B10CA1
SCHEMBL8921111 0.75 TBXAS1 (0.68) HCAR2ESR1CA12AKR1B10CA1
SCHEMBL2257702 0.75 MGLL (0.35) MGLLCYP3A4ALDH1A1TDP1
SCHEMBL68395 0.74 HCAR2 (0.81) HCAR2ESR1CA12AKR1B10CA1
SCHEMBL713717 0.74 HCAR2 (0.81) HCAR2ESR1CA12AKR1B10CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1431355-B1 COATING COMPOSITIONS HAVING A PLURALITY OF TRIGGERED RESPONSES ROHM & HAAS (US) 2006-03-22 EP claimed
EP-0885913-B1 COPOLYETHER AND SOLID POLYMER ELECTROLYTE DAISO CO LTD (JP) 2003-04-16 EP claimed
US-4877711-A DURABLE PRINTING PLATES FUJI PHOTO FILM CO., LTD. (JP) 1989-10-31 US claimed
US-9187233-B2 Brightening ink composition for printing, paper container material using the brightening ink composition, and heat insulating foamed paper container NISSIN FOODS HOLDINGS CO., LTD. (JP) 2015-11-17 US disclosed
US-20110111150-A1 BRIGHTENING INK COMPOSITION FOR PRINTING, PAPER CONTAINER MATERIAL USING THE BRIGHTENING INK COMPOSITION, AND HEAT INSULATING FOAMED PAPER CONTAINER NISSIN FOODS HOLDINGS CO., LTD. (JP) 2011-05-12 US disclosed
US-4877711-A DURABLE PRINTING PLATES FUJI PHOTO FILM CO., LTD. (JP) 1989-10-31 US disclosed
EP-0098961-B1 LAMINATED SAFETY GLASS ASAHI GLASS COMPANY LTD. (JP) 1988-03-09 EP disclosed
US-4584245-A CROSSLINKED POLYURETHANE LAYER HAVING CARBORYLIC ACID GROUPS ASAHI GLASS COMPANY LTD. (JP) 1986-04-22 US disclosed
EP-0098961-A1 Laminated safety glass ASAHI GLASS COMPANY LTD. (JP) 1984-01-25 EP disclosed