SCHEMBL4045516

SCHEMBL4045516

COc1cccc(Oc2ccc(OCC(C)O)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.59
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.54
KDM4E B2RXH2 1/20 0.52
MTNR1B P49286 11/20 0.52
MTNR1A P48039 7/20 0.50
ACACB O00763 1/20 0.48
HTR1D P28221 1/20 0.48
HTR1B P28222 1/20 0.48
FFAR1 O14842 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
CASR P41180 1/20 0.45

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
SCHEMBL1496491 0.89 TSHR (0.70) LMNATSHRMAPK1KDM4EMTNR1B
SCHEMBL29847698 0.89 TSHR (0.70) LMNATSHRMAPK1KDM4EMTNR1B
SCHEMBL21393243 0.87 LMNA (0.60) LMNATSHRMAPK1SMN1; SMN2KDM4E
SCHEMBL4044793 0.85 TSHR (0.61) TSHRMAPK1SMN1; SMN2KDM4EMTNR1B
SCHEMBL4050984 0.84 LMNA (0.59) LMNAHTR1DHTR1BFFAR1
SCHEMBL4046461 0.83 LMNA (0.85) LMNASMN1; SMN2MTNR1BMTNR1AHTR1D
SCHEMBL9713476 0.83 LMNA (0.85) LMNASMN1; SMN2MTNR1BMTNR1AHTR1D
SCHEMBL1496544 0.83 LMNA (0.85) LMNASMN1; SMN2MTNR1BMTNR1AHTR1D
SCHEMBL4040995 0.83 LMNA (0.57) LMNAKDM4EHTR1DHTR1BFFAR1
SCHEMBL1241813 0.81 LMNA (0.73) LMNATSHRMAPK1SMN1; SMN2KDM4E

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-1380342-B1 COMPLEX CATALYST, PROCESS FOR PRODUCING THE COMPLEX CATALYST, AND PROCESS FOR PRODUCING ALCOHOL DERIVATIVE WITH THE COMPLEX CATALYST SUMITOMO CHEMICAL CO (JP) 2009-07-01 EP disclosed
US-6995110-B2 Complex catalyst, process for producing the complex catalyst, and process for producing alcohol derivative with the complex catalyst SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-02-07 US disclosed
US-20040077487-A1 Complex catalyst, process for producing the complex catalyst, and process for producing alchohol derivative with the complex catalyst SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-04-22 US disclosed