SCHEMBL5166847

SCHEMBL5166847

CC(=CCCOCC(C)C)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
CD81 P60033 1/20 0.33
GRIK1 P39086 1/20 0.32
ALOX15 P16050 1/20 0.32
RAB9A P51151 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PPARG P37231 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
SCHEMBL15535508 0.84 CD81 (0.39) NOS3NOS1NOS2CD81PPARG
SCHEMBL3166408 0.83 TSHR (0.33) TSHRNOS3NOS1NOS2CD81
SCHEMBL6851328 0.82 CD81 (0.38) TSHRNOS3NOS1NOS2CD81
SCHEMBL6851323 0.82 CD81 (0.38) TSHRNOS3NOS1NOS2CD81
SCHEMBL550947 0.81 TSHR (0.35) TSHRGRIK1ALDH1A1
SCHEMBL28995142 0.81 USP2 (0.42) NOS3NOS1NOS2CD81ALOX15
SCHEMBL8500713 0.81 TSHR (0.34) TSHRCD81ALOX15
SCHEMBL4923413 0.80 TSHR (0.32) TSHR
SCHEMBL30729595 0.80 CD81 (0.37) CD81PPARG
SCHEMBL2965591 0.79 CD81 (0.32) CD81ALOX15ALDH1A1

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
EP-1476509-B1 SELF-POLISHING ANTIFOULING PAINT JOTUN AS (NO) 2007-04-11 EP claimed
US-9733564-B2 Copolymers for lithography and method for producing same, resist composition, method for producing substrate with pattern formed thereupon, method for evaluating copolymers, and method for analyzing copolymer compositions MITSUBISHI CHEMICAL CORPORATION (JP) 2017-08-15 US disclosed
US-20130224654-A1 COPOLYMERS FOR LITHOGRAPHY AND METHOD FOR PRODUCING SAME, RESIST COMPOSITION, METHOD FOR PRODUCING SUBSTRATE WITH PATTERN FORMED THEREUPON, METHOD FOR EVALUATING COPOLYMERS, AND METHOD FOR ANALYZING COPOLYMER COMPOSITIONS MITSUBISHI RAYON CO., LTD. (JP) 2013-08-29 US disclosed
EP-1476509-B1 SELF-POLISHING ANTIFOULING PAINT JOTUN AS (NO) 2007-04-11 EP disclosed
EP-1476509-A2 SELF-POLISHING ANTIFOULING PAINT Jotun AS (NO) 2004-11-17 EP disclosed
WO-2003070832-A2 SELF-POLISHING ANTIFOULING PAINT JOTUN AS (NO) 2003-08-28 WO disclosed