SCHEMBL8008760

SCHEMBL8008760

COC(=O)CC1CCc2cc(C(C)(C)C)ccc21

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 12/20 0.46
PPARA Q07869 6/20 0.46
PPARG P37231 1/20 0.44
FFAR1 O14842 1/20 0.41
TRPV1 Q8NER1 6/20 0.40
TRPV4 Q9HBA0 1/20 0.40

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
SCHEMBL8011041 0.90 MTNR1A (0.46)
SCHEMBL8037397 0.85 PPARD (0.57) PPARDPPARAPPARGFFAR1
SCHEMBL13047955 0.82 ESR1 (0.55) PPARDPPARAFFAR1
SCHEMBL3413338 0.82 ESR1 (0.55) PPARDPPARAFFAR1
SCHEMBL3747845 0.82 ESR1 (0.55) PPARDPPARAFFAR1
SCHEMBL8015012 0.78 PPARD (0.39) PPARDPPARAPPARGFFAR1TRPV1
SCHEMBL1470470 0.77 MTNR1A (0.50) PPARDFFAR1
SCHEMBL9282413 0.77 FFAR1 (0.55) PPARDPPARGFFAR1
SCHEMBL9282424 0.77 FFAR1 (0.55) PPARDPPARGFFAR1
SCHEMBL1472802 0.77 PPARD (0.46) PPARDPPARAFFAR1

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-6103688-A TERT-BUTYL SUBSTITUTED INDAN DERIVATIVES FIRMENICH SA (CH) 2000-08-15 US disclosed
US-5552379-A FLORAL, FOR COSMETICS AND HOUSEHOLD ITEMS FIRMENICH SA (CH) 1996-09-03 US disclosed