SCHEMBL15944221

SCHEMBL15944221

CCC(C)(C)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.36
ALDH1A1 P00352 3/20 0.36
ABCB11 O95342 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADRA2B P18089 1/20 0.36
OPRD1 P41143 1/20 0.36
SCN5A Q14524 1/20 0.36
THRB P10828 2/20 0.35
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
TP53 P04637 2/20 0.32
HIF1A Q16665 2/20 0.32
HSD17B10 Q99714 1/20 0.32
CA2 P00918 1/20 0.31

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
SCHEMBL117007 1.00 TSHR (0.36) TSHRALDH1A1ABCB11CYP3A4ADRA2B
SCHEMBL12126262 1.00 TSHR (0.36) TSHRALDH1A1ABCB11CYP3A4ADRA2B
SCHEMBL11891444 1.00 TSHR (0.36) TSHRALDH1A1ABCB11CYP3A4ADRA2B
SCHEMBL10350230 1.00 TSHR (0.36) TSHRALDH1A1ABCB11CYP3A4ADRA2B
SCHEMBL4544615 1.00 TSHR (0.36) TSHRALDH1A1ABCB11CYP3A4ADRA2B
SCHEMBL859453 1.00 TSHR (0.36) TSHRALDH1A1ABCB11CYP3A4ADRA2B
SCHEMBL12535669 1.00 TSHR (0.36) TSHRALDH1A1ABCB11CYP3A4ADRA2B
SCHEMBL9923562 1.00 TSHR (0.36) TSHRALDH1A1ABCB11CYP3A4ADRA2B
SCHEMBL15944220 1.00 TSHR (0.36) TSHRALDH1A1ABCB11CYP3A4ADRA2B
SCHEMBL11891414 1.00 TSHR (0.36) TSHRALDH1A1ABCB11CYP3A4ADRA2B

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-20140224140-A1 PRINTING METHOD USING LITHOGRAPHIC PRINTING PLATE PRECURSOR OF ON-PRESS DEVELOPMENT TYPE FUJIFILM COPORATION (JP) 2014-08-14 US disclosed