SCHEMBL9623633

SCHEMBL9623633

COc1cc2cc(C(=O)O)ccc2cc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.67
KDM4E B2RXH2 1/20 0.62
CA12 O43570 3/20 0.56
CA1 P00915 3/20 0.56
CA7 P43166 3/20 0.56
CA9 Q16790 3/20 0.56
CA2 P00918 2/20 0.56
CA4 P22748 2/20 0.56
CA6 P23280 2/20 0.56
CA14 Q9ULX7 2/20 0.56
TPMT P51580 1/20 0.56
RARA P10276 1/20 0.54
RARB P10826 1/20 0.54
RARG P13631 1/20 0.54
RAB9A P51151 2/20 0.51
LMNA P02545 2/20 0.51
MAPK1 P28482 1/20 0.51
TTR P02766 2/20 0.50
PKM P14618 2/20 0.50
PTGS2 P35354 1/20 0.50

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
SCHEMBL4946900 0.90 KDM4E (0.70) HTTKDM4ECA12CA1CA7
SCHEMBL5695675 0.83 ALDH1A1 (0.70) HTTKDM4ECA12CA1CA7
SCHEMBL360580 0.82 KDM4E (0.60) HTTKDM4ECA12CA1CA7
SCHEMBL29779941 0.82 LCK (0.67) HTTKDM4ECA12CA1CA7
SCHEMBL3391297 0.82 LCK (0.67) HTTKDM4ECA12CA1CA7
Isovanillic Acid SCHEMBL180473 0.80 HTT (0.72) HTTKDM4ECA12CA1CA7
Isovanillic Acid SCHEMBL29883459 0.80 HTT (0.72) HTTKDM4ECA12CA1CA7
Vanillic Acid SCHEMBL26179 0.80 HTT (1.00) HTTKDM4ECA12CA1CA7
Vanillic Acid SCHEMBL9711598 0.80 HTT (1.00) HTTKDM4ECA12CA1CA7
Vanillic Acid SCHEMBL29378740 0.80 HTT (1.00) HTTKDM4ECA12CA1CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0212944-B1 MELT-PROCESSABLE AROMATIC COPOLYESTER Kabushiki Kaisha Ueno Seiyaku Oyo Kenkyujo (JP) 1992-04-08 EP disclosed
US-4746721-A ENGINEERING PLASTICS KABUSHIKI KAISHA UENO SEIYAKU OYO KENKYUJO (JP) 1988-05-24 US disclosed
EP-0212944-A2 Melt-processable aromatic copolyester Kabushiki Kaisha Ueno Seiyaku Oyo Kenkyujo (JP) 1987-03-04 EP disclosed