SCHEMBL6441500

SCHEMBL6441500

CC1CCC(C(C)C)C(OC(=O)C2C(C(=O)O)C2(C)C)C1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.49
ALDH1A1 P00352 9/20 0.48
HPGD P15428 2/20 0.48
CYP19A1 P11511 2/20 0.44
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 2/20 0.42
TSHR P16473 2/20 0.39
USP2 O75604 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GRM2 Q14416 1/20 0.39
GRM3 Q14832 1/20 0.39

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
SCHEMBL7642694 0.87 EPHX1 (0.52) EPHX1ALDH1A1HPGDCYP19A1MAPT
SCHEMBL4888053 0.85 EPHX1 (0.45) EPHX1ALDH1A1HPGDCYP19A1MAPT
SCHEMBL1072052 0.83 EPHX1 (0.44) EPHX1ALDH1A1HPGDCYP19A1MAPT
SCHEMBL1072055 0.83 EPHX1 (0.44) EPHX1ALDH1A1HPGDCYP19A1MAPT
SCHEMBL2128363 0.83 EPHX1 (0.51) EPHX1ALDH1A1HPGDCYP19A1MAPT
SCHEMBL2127574 0.82 EPHX1 (0.47) EPHX1ALDH1A1HPGDCYP19A1MAPT
SCHEMBL295262 0.81 EPHX1 (0.46) EPHX1ALDH1A1HPGDCYP19A1MAPT
SCHEMBL4986006 0.81 EPHX1 (0.46) EPHX1ALDH1A1HPGDCYP19A1MAPT
SCHEMBL4986012 0.81 EPHX1 (0.46) EPHX1ALDH1A1HPGDCYP19A1MAPT
SCHEMBL23243835 0.80 EPHX1 (0.53) EPHX1ALDH1A1HPGDCYP19A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1188735-B1 Process for producing carbonyl or hydroxy compound SUMITOMO CHEMICAL CO (JP) 2005-07-27 EP disclosed
US-20040152592-A1 Process for producing carbonyl or hydroxy compound SUMITOMO CHEMICAL COMPANY, LIMTED 2004-08-05 US disclosed
US-6703528-B2 CATALYTIC OXIDATION OF OLEFIN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-03-09 US disclosed
EP-1188735-A1 Process for producing carbonyl or hydroxy compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-03-20 EP disclosed
US-20020025906-A1 Process for producing carbonyl or hydroxy compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-02-28 US disclosed