SCHEMBL7659739

SCHEMBL7659739

COC(=O)c1ccc(OC2CCC(=O)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.52
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
FAAH O00519 1/20 0.50
PARP10 Q53GL7 1/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
CA12 O43570 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
STS P08842 1/20 0.44
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HRH3 Q9Y5N1 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
SCHEMBL16147114 0.89 EPHX2 (0.61) EPHX2CA1CA2FAAHPARP10
SCHEMBL8339652 0.85 PARP10 (0.60) EPHX2CA1CA2FAAHPARP10
SCHEMBL15830297 0.84 PARP10 (0.58) EPHX2CA1CA2FAAHPARP10
SCHEMBL13266896 0.84 EPHX2 (0.57) EPHX2CA1CA2FAAHPARP10
SCHEMBL10148138 0.84 LMNA (0.53) EPHX2PARP10MAPTALDH1A1TDP1
SCHEMBL7326433 0.84 PARP10 (0.58) EPHX2CA1CA2FAAHPARP10
SCHEMBL1707168 0.81 MEN1 (0.54) EPHX2CA1CA2FAAHPARP10
SCHEMBL239876 0.81 HRH1 (0.53) EPHX2CA1CA2FAAHPARP10
SCHEMBL31114566 0.81 EPHX2 (0.55) EPHX2CA1CA2FAAHPARP10
SCHEMBL5524804 0.81 PARP10 (0.73) EPHX2CA1CA2FAAHPARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6384065-B1 CONTROL THE FUNCTIONS OF PROTEINS SUCH AS ENZYMES AND RECEPTOR FORTREATING INFLAMMATORY DISEASES SUCH AS RHEUMATOID ARTHRITIS, TOYAMA CHEMICAL CO., LTD. (JP) 2002-05-07 US disclosed
EP-1076056-A1 NOVEL SPIRO COMPOUNDS OR SALTS THEREOF AND PREVENTIVES/REMEDIES FOR AUTOIMMUNE DISEASES AND AP-1 INHIBITORS CONTAINING THE SAME TOYAMA CHEMICAL CO., LTD. (JP) 2001-02-14 EP disclosed