SCHEMBL10359233

SCHEMBL10359233

O=C1CCC(C2OC2C(=O)O)CC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SUCNR1 Q9BXA5 1/20 0.37
KDM4E B2RXH2 1/20 0.31
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
PMP22 Q01453 1/20 0.31
TFPI2 P48307 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
THPO P40225 1/20 0.31

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
SCHEMBL8555632 0.83
SCHEMBL5584855 0.83
SCHEMBL5608067 0.77 SUCNR1 (0.42) SUCNR1KDM4EGMNNLMNAPMP22
SCHEMBL5194126 0.77 SUCNR1 (0.42) SUCNR1KDM4EGMNNLMNAPMP22
SCHEMBL5195767 0.77 SUCNR1 (0.42) SUCNR1KDM4EGMNNLMNAPMP22
SCHEMBL8539572 0.69 SUCNR1 (0.62) SUCNR1KDM4EGMNNLMNAPMP22
SCHEMBL14115855 0.68 MEN1 (0.46) KDM4ELMNAPMP22TSHR
SCHEMBL510704 0.67 TRIM24 (0.44)
SCHEMBL6126 0.66 GABRP (0.46) KDM4ELMNAPMP22TSHR
SCHEMBL9234017 0.64 TRIM24 (0.41)

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-0213547-B1 CYCLOHEXANEALKANOIC ACIDS MERRELL DOW PHARMACEUTICALS INC. (US) 1990-12-27 EP disclosed
EP-0213547-A1 Cyclohexanealkanoic acids MERRELL DOW PHARMACEUTICALS INC. (US) 1987-03-11 EP disclosed
US-4622422-A FOR TREATMENT OF BRONCHIAL ASTHMA MERRELL DOW PHARMACEUTICALS INC. (US) 1986-11-11 US disclosed