SCHEMBL28044346

SCHEMBL28044346

C=CC(=O)OC(C)C1CC(C(C)OC(=O)C=C)CC(C(C)OC(=O)C=C)C1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.41
HCAR2 Q8TDS4 1/20 0.33
HPGD P15428 1/20 0.31
ALDH1A1 P00352 3/20 0.30
TP53 P04637 2/20 0.30
HIF1A Q16665 2/20 0.30
CYP3A4 P08684 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL9033896 0.89 TSHR (0.42) TSHRHCAR2HPGDALDH1A1TP53
SCHEMBL9736427 0.89 TSHR (0.42) TSHRHCAR2HPGDALDH1A1TP53
SCHEMBL22230402 0.89 TSHR (0.36) TSHRALDH1A1
SCHEMBL22129735 0.86 TSHR (0.39) TSHRHCAR2HPGDALDH1A1
SCHEMBL1774088 0.84 TSHR (0.38) TSHRHCAR2HPGDALDH1A1
SCHEMBL2884185 0.82 TSHR (0.37) TSHRHCAR2
SCHEMBL28020538 0.82 TSHR (0.37) TSHRHCAR2ALDH1A1
SCHEMBL23494140 0.82 TSHR (0.34) TSHR
SCHEMBL1356686 0.79 TSHR (0.33) TSHR
SCHEMBL20083026 0.79 TSHR (0.30) TSHR

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-104023976-B Duplexer and uses thereof THE NIPPON SYNTHETIC CHEMICAL INDUSTRY CO.,LTD. (JP) 2015-11-25 CN disclosed