SCHEMBL8015012

SCHEMBL8015012

CC(C)(C)c1ccc2c(c1)CCC2CC=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 5/20 0.39
PPARA Q07869 3/20 0.39
PPARG P37231 1/20 0.38
FFAR1 O14842 1/20 0.36
ESR1 P03372 3/20 0.36
ESR2 Q92731 3/20 0.36
TRPV1 Q8NER1 8/20 0.36
TRPV4 Q9HBA0 1/20 0.36
SRD5A1 P18405 1/20 0.35

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
SCHEMBL7195520 0.88 MTNR1A (0.38) ESR1ESR2
SCHEMBL8037397 0.81 PPARD (0.57) PPARDPPARAPPARGFFAR1
SCHEMBL8008760 0.78 PPARD (0.46) PPARDPPARAPPARGFFAR1TRPV1
SCHEMBL8014420 0.78 ESR1 (0.40) PPARDPPARAPPARGESR1ESR2
SCHEMBL7999049 0.77 TRPV1 (0.39) PPARAPPARGTRPV1TRPV4SRD5A1
SCHEMBL8348492 0.77 SRD5A1 (0.43) PPARDPPARAFFAR1ESR1ESR2
SCHEMBL12048689 0.77 SRD5A1 (0.43) PPARDPPARAFFAR1ESR1ESR2
SCHEMBL12060384 0.77 ESR1 (0.60) PPARDFFAR1ESR1ESR2
SCHEMBL8348696 0.77 SRD5A1 (0.43) PPARDPPARAFFAR1ESR1ESR2
SCHEMBL13079759 0.77 ESR1 (0.60) PPARDFFAR1ESR1ESR2

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 4 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
EP-0685444-B1 Aromatic compounds and their use in perfumery FIRMENICH & CIE (CH) 2000-04-05 EP disclosed
US-5552379-A FLORAL, FOR COSMETICS AND HOUSEHOLD ITEMS FIRMENICH SA (CH) 1996-09-03 US disclosed
EP-0685444-A1 Aromatic compounds and their use in perfumery FIRMENICH SA (CH) 1995-12-06 EP disclosed