SCHEMBL4084962

SCHEMBL4084962

COC(=O)C12CC3CC(O)(C1)CC(C(C)=C(C)C(=O)O)(C3)C2

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 1/20 0.33
ABL1 P00519 1/20 0.33
TSHR P16473 1/20 0.33
RIN1 Q13671 1/20 0.33
GLA P06280 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CNR1 P21554 2/20 0.31
CNR2 P34972 2/20 0.31
HSD11B1 P28845 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
SCHEMBL4097842 0.93 GLA (0.37) NPSR1ALDH1A1GLA
SCHEMBL4095697 0.86 HSD11B1 (0.35) NPSR1ALDH1A1HSD11B1
SCHEMBL5607585 0.86 ALDH1A1 (0.40) NPSR1ALDH1A1ABL1TSHRRIN1
SCHEMBL4100142 0.86 MEN1 (0.39) NPSR1GLA
SCHEMBL5608286 0.83 ALDH1A1 (0.40) NPSR1ALDH1A1ABL1TSHRRIN1
SCHEMBL4095721 0.82 ALDH1A1 (0.37) NPSR1ALDH1A1GLA
SCHEMBL4093646 0.81 NPSR1 (0.32) NPSR1GLA
SCHEMBL4103943 0.81 NPSR1 (0.46) NPSR1ALDH1A1ABL1TSHRRIN1
SCHEMBL4098646 0.79 MEN1 (0.41) HSD11B1
SCHEMBL5084581 0.78 GLA (0.42) NPSR1ALDH1A1TSHRGLAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9500950-B2 Fluorine-containing polymer, purification method, and radiation-sensitive resin composition JSR CORPORATION (JP) 2016-11-22 US disclosed
US-20160062237-A1 FLUORINE-CONTAINING POLYMER, PURIFICATION METHOD, AND RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2016-03-03 US disclosed
US-9213236-B2 Fluorine-containing polymer, purification method, and radiation-sensitive resin composition JSR CORPORATION (JP) 2015-12-15 US disclosed
US-20140162190-A1 FLUORINE-CONTAINING POLYMER, PURIFICATION METHOD, AND RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2014-06-12 US disclosed
US-8697343-B2 Fluorine-containing polymer, purification method, and radiation-sensitive resin composition JSR CORPORATION (JP) 2014-04-15 US disclosed
US-20090202945-A1 FLUORINE-CONTAINING POLYMER, PURIFICATION METHOD, AND RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2009-08-13 US disclosed