SCHEMBL5166839

SCHEMBL5166839

CC/C(OCC(C)C)=C(/C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
ALDH1A1 P00352 3/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
LMNA P02545 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL5168881 1.00 TSHR (0.44) TSHRALDH1A1RAB9ASMN1; SMN2CYP2D6
SCHEMBL7188587 0.79 KDM4E (0.44) LMNA
SCHEMBL126032 0.79 ALDH1A1 (0.46) TSHRALDH1A1CYP2D6TDP1LMNA
SCHEMBL222774 0.79 ALDH1A1 (0.46) TSHRALDH1A1CYP2D6TDP1LMNA
SCHEMBL6665498 0.77 TSHR (0.48) TSHRALDH1A1RAB9ASMN1; SMN2TDP1
SCHEMBL27504478 0.75 ALDH1A1 (0.40) TSHRALDH1A1TDP1LMNAHSD17B10
SCHEMBL5167065 0.75 HCAR2 (0.41) TSHRALDH1A1SMN1; SMN2CHRM1TDP1
SCHEMBL7758324 0.75 HCAR2 (0.41) TSHRALDH1A1SMN1; SMN2CHRM1TDP1
SCHEMBL481434 0.73 ALDH1A1 (0.31) ALDH1A1TDP1LMNAHSD17B10
SCHEMBL6046256 0.73 TSHR (0.31) TSHRALDH1A1TDP1

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 4 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
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