SCHEMBL3986958

SCHEMBL3986958

O=C(O)CC1CCCc2cc(Sc3ccccc3)ccc21

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 14/20 0.59
FFAR1 O14842 3/20 0.52
PPARD Q03181 2/20 0.49
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46

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
SCHEMBL315806 1.00 KDM4C (0.59) KDM4CFFAR1PPARDPPARGPPARA
SCHEMBL12510404 0.83 KDM4C (0.53) KDM4C
SCHEMBL14299176 0.83 HTR6 (0.57) KDM4C
SCHEMBL10110774 0.83 KDM4C (0.53) KDM4C
SCHEMBL10110778 0.82 KDM4C (0.62) KDM4C
SCHEMBL30301824 0.79 FFAR1 (0.52) KDM4CFFAR1PPARD
SCHEMBL3590904 0.79 FFAR1 (0.52) KDM4CFFAR1PPARD
SCHEMBL315960 0.78 KDM4C (0.48) KDM4C
SCHEMBL315961 0.78 KDM4C (0.48) KDM4C
SCHEMBL316157 0.78 KDM4C (0.48) KDM4C

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
EP-2035370-A2 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF F. Hoffmann-Roche AG (CH) 2009-03-18 EP disclosed
WO-2007147771-A2 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2007-12-27 WO disclosed