SCHEMBL28630491

SCHEMBL28630491

C=CC(=O)OC(CCCCCCCCC)c1c(C(=O)O)c(C(=O)O)cc(C(=O)O)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
SLC37A4 O43826 1/20 0.39
THRB P10828 2/20 0.36
THRA P10827 1/20 0.36
TSHR P16473 2/20 0.35
PTPN11 Q06124 5/20 0.34
S1PR3 Q99500 1/20 0.34
HPGD P15428 1/20 0.34
PPARA Q07869 2/20 0.34
PPARG P37231 1/20 0.34
KAT8 Q9H7Z6 2/20 0.33
PTPN1 P18031 2/20 0.33
PTPN6 P29350 1/20 0.33
PLA2G2A P14555 1/20 0.33

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
SCHEMBL10581579 0.88 TSHR (0.40) ALDH1A1SLC37A4THRBTHRATSHR
SCHEMBL21385271 0.88 SLC37A4 (0.43) ALDH1A1SLC37A4THRBTHRATSHR
SCHEMBL10388566 0.86 TSHR (0.38) ALDH1A1SLC37A4THRBTHRATSHR
SCHEMBL29159220 0.79 THRB (0.35) ALDH1A1SLC37A4THRBTHRATSHR
SCHEMBL4970630 0.76 THRB (0.48) ALDH1A1THRBTHRA
SCHEMBL342568 0.76 THRB (0.48) ALDH1A1THRBTHRA
SCHEMBL9402077 0.76 THRB (0.48) ALDH1A1THRBTHRA
SCHEMBL8086548 0.76 THRB (0.48) ALDH1A1THRBTHRA
SCHEMBL21314239 0.74 HCAR2 (0.33) ALDH1A1TSHR
SCHEMBL651280 0.74 THRB (0.46) ALDH1A1THRBTHRATSHRHPGD

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
CN-113440418-A Dental polymerizable composition 株式会社GC 2021-09-28 CN disclosed