SCHEMBL15969074

SCHEMBL15969074

CC(=O)OCC1CCC(CC=C(C)C(=O)O)CC1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
LMNA P02545 2/20 0.34
ICAM1 P05362 1/20 0.32
CD81 P60033 1/20 0.32
SLC1A3 P43003 2/20 0.31
SLC1A2 P43004 2/20 0.31
SLC1A1 P43005 2/20 0.31
NLRP3 Q96P20 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30
PTGIR P43119 2/20 0.30
SLC18A3 Q16572 1/20 0.30
PTGDR Q13258 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
SCHEMBL2503576 0.87 CD81 (0.38) LMNAICAM1CD81ALDH1A1
SCHEMBL15969190 0.84 LMNA (0.34) LMNACD81ALDH1A1
SCHEMBL5696892 0.81 ALDH1A1 (0.43) JAK2JAK1TYK2JAK3LMNA
SCHEMBL17029138 0.81 ALDH1A1 (0.43) JAK2JAK1TYK2JAK3LMNA
SCHEMBL6256094 0.81
SCHEMBL15968781 0.80 CD81 (0.34) ICAM1CD81
SCHEMBL222817 0.80 CD81 (0.34) ICAM1CD81
SCHEMBL5165178 0.80 CD81 (0.34) ICAM1CD81ALDH1A1
SCHEMBL2115974 0.80 ICAM1 (0.31) ICAM1CD81
SCHEMBL5003950 0.80 CD81 (0.36) LMNAICAM1CD81SLC1A3SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951233-B2 Environmentally friendly coalescing agents MYRIANT CORPORATION (US) 2018-04-24 US disclosed
US-20140243446-A1 ENVIRONMENTALLY FRIENDLY COALESCING AGENTS MYRIANT CORPORATION (US) 2014-08-28 US disclosed