SCHEMBL6676002

SCHEMBL6676002

C=CC(=O)OCCC(=O)OCCCCCCO

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.66
ALDH1A1 P00352 4/20 0.66
CYP3A4 P08684 2/20 0.66
HPGD P15428 1/20 0.50
TP53 P04637 3/20 0.46
HIF1A Q16665 3/20 0.46
HSD17B10 Q99714 1/20 0.46
THRB P10828 2/20 0.39
APP P05067 2/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ACHE P22303 6/20 0.36
HTR2C P28335 1/20 0.36
NAAA Q02083 1/20 0.35
DGKA P23743 1/20 0.35

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
SCHEMBL27609250 0.93 TSHR (0.59) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL9417606 0.93 TSHR (0.76) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL18100189 0.92 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL402912 0.92 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL2467554 0.91 TSHR (0.72) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL16744245 0.89 TSHR (0.56) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL11654713 0.89 TSHR (0.83) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL209596 0.89 TSHR (0.83) TSHRALDH1A1CYP3A4HPGDTP53
1,6-Hexanediol SCHEMBL1954486 0.89 TSHR (0.83) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL5918785 0.89 TSHR (0.83) TSHRALDH1A1CYP3A4HPGDTP53

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