SCHEMBL9718037

SCHEMBL9718037

C=CC(O[C]=O)C(=O)OCCC

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
ALDH1A1 P00352 1/20 0.31
LMNA P02545 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
SCHEMBL7440829 0.81
SCHEMBL9382388 0.77
SCHEMBL9543842 0.77 SMN1; SMN2 (0.33)
SCHEMBL5428033 0.74 TSHR (0.33) TSHRHCAR2
SCHEMBL7178426 0.74
SCHEMBL4681222 0.73 HCAR2 (0.35) TSHRHCAR2ALDH1A1LMNA
SCHEMBL3868791 0.73
SCHEMBL7611022 0.73
SCHEMBL16504446 0.71 TSHR (0.41) HPGDTSHRHCAR2ALDH1A1LMNA
SCHEMBL19552359 0.71 TSHR (0.45) HPGDTSHRHCAR2ALDH1A1LMNA

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-0467549-A2 Inorganic solid and polymer composition IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-01-22 EP disclosed