SCHEMBL21541957

SCHEMBL21541957

C=CC(=O)OCOc1ccc(-c2ccc(C[C@@H](C)CC)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 3/20 0.42
▸ THRB P10828 3/20 0.42
▸ PPARA Q07869 10/20 0.40
▸ PPARD Q03181 8/20 0.40
▸ PPARG P37231 7/20 0.40
▸ TSHR P16473 2/20 0.36
▸ HPGD P15428 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
SCHEMBL10308954 0.91 THRB (0.41) ACACBTHRBPPARAPPARDPPARG
SCHEMBL10308953 0.87 THRB (0.43) ACACBTHRBPPARAPPARDPPARG
SCHEMBL12019034 0.87 ACACB (0.39) ACACBTHRBTSHR
SCHEMBL10408342 0.87 THRB (0.45) ACACBTHRBPPARAPPARDPPARG
SCHEMBL10409028 0.87 THRB (0.45) ACACBTHRBPPARAPPARDPPARG
SCHEMBL8687601 0.85 THRB (0.57) ACACBTHRBPPARAPPARDPPARG
SCHEMBL14010392 0.84 THRB (0.48) THRBTSHRHPGD
SCHEMBL13816887 0.83 ACACB (0.40) ACACBTHRBPPARAPPARDPPARG
SCHEMBL11917942 0.82 THRB (0.53) THRBTSHRHPGD
SCHEMBL13806799 0.82 PPARD (0.39) ACACBTHRBPPARAPPARDPPARG

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190330434-A1 METHODS FOR GRAFTING LIQUID CRYSTALLINE COATINGS ONTO POLYMER SURFACES SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2019-10-31 — — US disclosed
Send feedback