SCHEMBL6970901

SCHEMBL6970901

Cc1oc(-c2ccccc2)nc1COc1ccc(CCCCC#N)cn1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 18/20 0.54
PPARA Q07869 17/20 0.54
FFAR1 O14842 1/20 0.49
KDR P35968 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
SCHEMBL6957438 0.97 PPARG (0.55) PPARGPPARAFFAR1KDR
SCHEMBL6971544 0.85 PPARG (0.58) PPARGPPARAFFAR1KDR
SCHEMBL6967630 0.84 PPARG (0.66) PPARGPPARA
SCHEMBL6959746 0.83 FFAR1 (0.67) PPARGPPARAFFAR1KDR
SCHEMBL6959844 0.82 PPARG (0.49) PPARGPPARAFFAR1
SCHEMBL4031358 0.81 PPARG (0.56) PPARGPPARAFFAR1KDR
SCHEMBL4034034 0.81 KDR (0.65) PPARGPPARAFFAR1KDR
SCHEMBL6964583 0.80 PPARG (0.57) PPARGPPARAFFAR1
SCHEMBL6965619 0.80 PPARG (0.49) PPARGPPARAFFAR1
SCHEMBL4035072 0.78 PPARG (0.45) PPARGPPARAFFAR1KDR

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-0629624-B1 Tetrazole derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-04-23 EP disclosed
US-5591862-A ANTILIPEMICS, TREATING DIABETES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-01-07 US disclosed
EP-0629624-A1 Tetrazole derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-12-21 EP disclosed