SCHEMBL8974694

SCHEMBL8974694

CCc1cccc2c(/C=C/C(=O)O)cc(OC)c(O)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.48
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
KDM4E B2RXH2 6/20 0.45
GAA P10253 3/20 0.43
PTGER4 P35408 4/20 0.43
PTGER3 P43115 4/20 0.43
PTGER2 P43116 4/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA4 P22748 2/20 0.42
CA6 P23280 2/20 0.42
CA5A P35218 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA5B Q9Y2D0 2/20 0.42
CA3 P07451 1/20 0.42
CSNK2A2 P19784 1/20 0.42

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
SCHEMBL8974704 1.00 PKM (0.48) PKMPTGS1PTGS2KDM4EGAA
SCHEMBL8973812 0.83 ERN1 (0.49)
SCHEMBL8974844 0.83 PTGER4 (0.44) KDM4EPTGER4PTGER3PTGER2MAPT
SCHEMBL8974902 0.83 PTGER4 (0.44) KDM4EPTGER4PTGER3PTGER2MAPT
SCHEMBL8974205 0.82 HPGD (0.54) PTGS2KDM4EKMT2AHPGDALDH1A1
SCHEMBL8974213 0.82 HPGD (0.54) PTGS2KDM4EKMT2AHPGDALDH1A1
SCHEMBL8973822 0.82 ERN1 (0.37) PTGS1PTGS2KDM4EGAAMAPT
SCHEMBL8973836 0.82 ERN1 (0.37) PTGS1PTGS2KDM4EGAAMAPT
SCHEMBL8974825 0.82 ERN1 (0.37) PTGS1PTGS2KDM4EGAAMAPT
SCHEMBL9655192 0.81 PSEN1 (0.36) PKMPTGS1PTGS2KDM4EMEN1

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-5527948-A SUBSTITUTED NAPHTHYL-ALKENOIC ACIDS FOR TREATING AUTOIMMUNE DISORDERS EISAI CORP. LTD. (JP) 1996-06-18 US disclosed
US-5298649-A Antiinflammatory agents, rheumatic agents and treatment of autoimmune diseases EISAI CO., LTD. (JP) 1994-03-29 US disclosed
EP-0376288-B1 Naphthalene derivative EISAI CO LTD (JP) 1994-03-09 EP disclosed
US-5134111-A Inhibitors of interleukin-1 as antiinflammatory agents EISAI CO., LTD. (JP) 1992-07-28 US disclosed