SCHEMBL6570565

SCHEMBL6570565

CC(C)(c1ccc(C=CC(=O)O)cc1)c1ccc(C=CC(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.59
CA12 O43570 2/20 0.59
AKR1B10 O60218 2/20 0.59
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
CA3 P07451 2/20 0.59
AKR1B1 P15121 2/20 0.59
CA4 P22748 2/20 0.59
CA6 P23280 2/20 0.59
DPP4 P27487 2/20 0.59
CA5A P35218 2/20 0.59
CA7 P43166 2/20 0.59
CA9 Q16790 2/20 0.59
CA14 Q9ULX7 2/20 0.59
CA5B Q9Y2D0 2/20 0.59
ESR1 P03372 2/20 0.59
ESR2 Q92731 2/20 0.59
PKM P14618 1/20 0.59
TYR P14679 1/20 0.59
CYP1A2 P05177 2/20 0.58

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
SCHEMBL11320903 0.94 HCAR2 (0.62) HCAR2CA12AKR1B10CA1CA2
SCHEMBL818742 0.88 CYP1A2 (0.75) HCAR2CA12AKR1B10CA1CA2
SCHEMBL846833 0.88 CYP1A2 (0.75) HCAR2CA12AKR1B10CA1CA2
SCHEMBL4001354 0.88 CYP1A2 (0.75) HCAR2CA12AKR1B10CA1CA2
SCHEMBL4575016 0.85 HCAR2 (0.55) HCAR2CA12AKR1B10CA1CA2
Hydrochloric Acid SCHEMBL4574723 0.83 HCAR2 (0.53) HCAR2CA12AKR1B10CA1CA2
SCHEMBL4805633 0.83 CYP1A2 (0.68) HCAR2CA12AKR1B10CA1CA2
SCHEMBL68395 0.82 HCAR2 (0.81) HCAR2CA12AKR1B10CA1CA2
SCHEMBL713717 0.82 HCAR2 (0.81) HCAR2CA12AKR1B10CA1CA2
SCHEMBL14081549 0.82 HCAR2 (0.81) HCAR2CA12AKR1B10CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0992550-B1 Ink-jet ink AGFA GEVAERT (BE) 2004-04-21 EP disclosed
EP-0992550-A2 Ink-jet ink Agfa-Gevaert AG (DE) 2000-04-12 EP disclosed
EP-0093924-B1 PHOTOGRAPHIC REGISTRATION MATERIAL Agfa-Gevaert AG (DE) 1987-05-27 EP disclosed
EP-0060438-B1 DYE PREPARATION Agfa-Gevaert AG (DE) 1986-06-25 EP disclosed
US-4533621-A FOR DIFFUSION TRANSFER KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1985-08-06 US disclosed
US-4513080-A BASED ON A CARBOXYLIC AMIDE AGFA-GEVAERT AG (DE) 1985-04-23 US disclosed
US-4459130-A WATER SOLUBLE ACID DYE AND WATER INSOLUBLE CATIONIC POLYMER AGFA-GEVAERT AKTIENGESELLSCHAFT (DE) 1984-07-10 US disclosed
EP-0048412-B1 PHOTOGRAPHIC MATERIAL WITH A TEMPORARY BARRIER LAYER Agfa-Gevaert AG (DE) 1984-06-20 EP disclosed
EP-0093924-A2 Photographic registration material Agfa-Gevaert AG (DE) 1983-11-16 EP disclosed
EP-0060438-A2 Dye preparation Agfa-Gevaert AG (DE) 1982-09-22 EP disclosed
EP-0027231-B1 PHOTOGRAPHIC MATERIAL COMPRISING A MORDANT LAYER Agfa-Gevaert AG (DE) 1982-05-19 EP disclosed
EP-0048412-A1 Photographic material with a temporary barrier layer Agfa-Gevaert AG (DE) 1982-03-31 EP disclosed
EP-0027231-A1 Photographic material comprising a mordant layer Agfa-Gevaert AG (DE) 1981-04-22 EP disclosed