SCHEMBL4085666

SCHEMBL4085666

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

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
PKM P14618 2/20 0.41
GAA P10253 2/20 0.38
POLB P06746 1/20 0.37
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 1/20 0.36
HSD11B1 P28845 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALOX15 P16050 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL4098632 0.86 ALDH1A1 (0.40) ALDH1A1PKMGAA
SCHEMBL7458451 0.82 ALDH1A1 (0.51) ALDH1A1PKMGAAPOLBLMNA
SCHEMBL6058401 0.80 ALDH1A1 (0.61) ALDH1A1PKMGAAPOLBLMNA
SCHEMBL4095010 0.80 MEN1 (0.38) ALDH1A1GAAPOLBALOX15KMT2A
SCHEMBL4091653 0.80 ALDH1A1 (0.36) ALDH1A1PKMHSD11B1
SCHEMBL4102876 0.79 HSD11B1 (0.47) ALDH1A1PKMNPSR1TSHRHSD11B1
SCHEMBL827747 0.79 TSHR (0.41) ALDH1A1PKMLMNANPSR1TSHR
SCHEMBL4095721 0.77 ALDH1A1 (0.37) ALDH1A1PKMNPSR1
SCHEMBL524018 0.77 GLA (0.44) ALDH1A1POLBHSD11B1L3MBTL1
SCHEMBL524017 0.77 GLA (0.44) ALDH1A1POLBHSD11B1L3MBTL1

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