SCHEMBL20214136

SCHEMBL20214136

COc1ccc2c(c1)CC[C@H]2C(C)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.53
PPARA Q07869 3/20 0.53
PPARD Q03181 2/20 0.49
MTNR1B P49286 4/20 0.47
SLC6A9 P48067 1/20 0.47
MTNR1A P48039 3/20 0.47
NQO2 P16083 1/20 0.47
SRD5A1 P18405 2/20 0.46
ECE1 P42892 5/20 0.46
MME P08473 1/20 0.46
ACE P12821 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
SCHEMBL20214100 1.00 PPARG (0.53) PPARGPPARAPPARDMTNR1BSLC6A9
SCHEMBL820924 1.00 PPARG (0.53) PPARGPPARAPPARDMTNR1BSLC6A9
SCHEMBL820921 1.00 PPARG (0.53) PPARGPPARAPPARDMTNR1BSLC6A9
SCHEMBL6229546 1.00 PPARG (0.53) PPARGPPARAPPARDMTNR1BSLC6A9
SCHEMBL6207342 1.00 PPARG (0.53) PPARGPPARAPPARDMTNR1BSLC6A9
SCHEMBL821387 1.00 PPARG (0.53) PPARGPPARAPPARDMTNR1BSLC6A9
SCHEMBL13355771 0.89 MTNR1A (0.48) PPARGPPARAPPARDMTNR1BMTNR1A
SCHEMBL820653 0.89 MTNR1A (0.48) PPARGPPARAPPARDMTNR1BMTNR1A
SCHEMBL821467 0.89 MTNR1A (0.48) PPARGPPARAPPARDMTNR1BMTNR1A
SCHEMBL1400250 0.84 PPARA (0.62) PPARGPPARA

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-3548023-A1 METHODS OF DOSE ADMINISTRATION FOR TREATING OR PREVENTING COGNITIVE IMPAIRMENT USING INDANE ACETIC ACID DERIVATIVES T3D Therapeutics, Inc. (US) 2019-10-09 EP disclosed
WO-2018102358-A1 METHODS OF TREATING OR PREVENTING COGNITIVE IMPAIRMENT USING INDANE ACETIC ACID DERIVATIVES BASED ON APOE4 GENOTYPE T3D THERAPEUTICS, INC. (US) 2018-06-07 WO disclosed
WO-2018102399-A1 METHODS OF DOSE ADMINISTRATION FOR TREATING OR PREVENTING COGNITIVE IMPAIRMENT USING INDANE ACETIC ACID DERIVATIVES T3D THERAPEUTICS, INC. (US) 2018-06-07 WO disclosed