SCHEMBL6676006

SCHEMBL6676006

C=CC(=O)OC(C)C(=O)OCCCCCCO

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.52
ALDH1A1 P00352 4/20 0.52
CYP3A4 P08684 2/20 0.52
HPGD P15428 1/20 0.43
ACHE P22303 6/20 0.37
TP53 P04637 3/20 0.35
HIF1A Q16665 3/20 0.35
HSD17B10 Q99714 1/20 0.35
APP P05067 2/20 0.34
HCAR2 Q8TDS4 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL15841108 0.92 TSHR (0.55) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL15841030 0.87 TSHR (0.56) TSHRALDH1A1CYP3A4HPGDHCAR2
SCHEMBL6680312 0.86 TSHR (0.59) TSHRALDH1A1CYP3A4HPGDACHE
SCHEMBL14586207 0.84 TSHR (0.50) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL1656561 0.83 TSHR (0.65) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL3177347 0.80 TSHR (0.59) TSHRALDH1A1CYP3A4HPGDTP53
1,4-Butanediol SCHEMBL2467555 0.80 TSHR (0.41) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL1657033 0.80 TSHR (0.48) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL35062 0.79 TSHR (0.83) TSHRALDH1A1CYP3A4HPGDACHE
SCHEMBL5918785 0.79 TSHR (0.83) TSHRALDH1A1CYP3A4HPGDACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0324569-B1 Process for preparing functionalized polymeric compositions ROHM & HAAS (US) 2004-10-27 EP disclosed
US-5130369-A Polymerization of a monomer with a chain transfer agent and a second monomer with the monomers interacting ROHM AND HAAS COMPANY (US) 1992-07-14 US disclosed
EP-0324569-A2 Process for preparing functionalized polymeric compositions ROHM AND HAAS COMPANY (US) 1989-07-19 EP disclosed