SCHEMBL4100142

SCHEMBL4100142

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.37
GAA P10253 2/20 0.36
ALOX12 P18054 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
P2RX7 Q99572 1/20 0.34
NPC1 O15118 1/20 0.34
GLA P06280 1/20 0.33
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
EPHX2 P34913 1/20 0.31
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 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) GLAPOLBNPSR1
SCHEMBL4037135 0.86 MEN1 (0.49) MEN1KMT2AMAPTGAAALOX12
SCHEMBL4084962 0.86 NPSR1 (0.34) GLANPSR1
SCHEMBL6229202 0.83 MEN1 (0.44) MEN1KMT2AMAPTGAAALOX12
SCHEMBL1088391 0.83 MEN1 (0.53) MEN1KMT2AMAPTGAAALOX12
SCHEMBL4095721 0.82 ALDH1A1 (0.37) GLANPSR1
SCHEMBL4103900 0.82 SMN1; SMN2 (0.38) MEN1KMT2ASMN1; SMN2
SCHEMBL4093646 0.81 NPSR1 (0.32) GLANPSR1
SCHEMBL4103943 0.81 NPSR1 (0.46) MEN1KMT2ASMN1; SMN2GLAPOLB
SCHEMBL4089963 0.80 SMN1; SMN2 (0.41) MEN1KMT2AGAASMN1; SMN2

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