SCHEMBL9704864

SCHEMBL9704864

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

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
TP53 P04637 1/20 0.35
HCAR2 Q8TDS4 1/20 0.33
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP9 P14780 1/20 0.30
MMP13 P45452 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
SCHEMBL1936262 0.87 TSHR (0.40) TSHRTP53HCAR2MMP1MMP2
SCHEMBL222174 0.81
SCHEMBL19359798 0.81
SCHEMBL28641337 0.80
Ammonia Solution, Strong SCHEMBL2277693 0.79 TSHR (0.35) TSHRTP53HCAR2MMP1MMP2
SCHEMBL4892625 0.79
SCHEMBL6060727 0.77 TP53 (0.38) TSHRTP53HCAR2MMP1MMP2
SCHEMBL4339444 0.77
SCHEMBL9367340 0.77
SCHEMBL5485447 0.77 TSHR (0.33) TSHRTP53HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0492237-A1 Modified polyester resins, process for their preparation and toner containing these polyester resins BAYER AG (DE) 1992-07-01 EP disclosed