SCHEMBL28040562

SCHEMBL28040562

C=CC(=O)OCC1(C)COC(C)(CC(C)C)O1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.41
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
SCHEMBL28040563 0.85 TSHR (0.37) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28360983 0.81 TSHR (0.38) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL1316484 0.81 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28922608 0.78 TSHR (0.37) TSHR
SCHEMBL4510184 0.73 TSHR (0.39) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL2883351 0.73 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL7715228 0.73 TSHR (0.40) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL1356974 0.71 TSHR (0.40) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL2885199 0.71 TSHR (0.42) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL17850002 0.70 TSHR (0.39) TSHRHPGDALDH1A1TP53HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105247390-A Optical film production method, optical film, surface light-emitting body and optical film production device MITSUBISHI RAYON CO 2016-01-13 CN disclosed
CN-105085561-A Metal oxide particle and applications thereof NIPPON CATALYTIC CHEMICAL INDUSTRY 2015-11-25 CN disclosed