SCHEMBL8874887

SCHEMBL8874887

CCOC(=O)c1cc(C(CC)OC(C)=O)on1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
TP53 P04637 2/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 4/20 0.41
THRB P10828 1/20 0.41
CYP1A2 P05177 1/20 0.41
ACR P10323 1/20 0.39
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 1/20 0.37
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36

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
SCHEMBL20738260 0.79 THRB (0.47) ALDH1A1TP53HPGDMEN1KMT2A
SCHEMBL5823373 0.79 MEN1 (0.45) ALDH1A1TP53HPGDMEN1KMT2A
SCHEMBL1090847 0.79 THRB (0.59) ALDH1A1TP53HPGDMEN1KMT2A
SCHEMBL25246107 0.77 THRB (0.48) ALDH1A1TP53HPGDMEN1KMT2A
SCHEMBL346323 0.77 THRB (0.48) ALDH1A1TP53HPGDMEN1KMT2A
SCHEMBL8874054 0.77 ALDH1A1 (0.41) ALDH1A1LMNATSHR
SCHEMBL9259866 0.76 THRB (0.47) ALDH1A1TP53HPGDMEN1KMT2A
SCHEMBL21523649 0.76 MEN1 (0.45) ALDH1A1TP53HPGDMEN1KMT2A
SCHEMBL12775995 0.76 THRB (0.47) ALDH1A1TP53HPGDMEN1KMT2A
SCHEMBL13962011 0.76 THRB (0.47) ALDH1A1TP53HPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5643929-A TREATMENT OF PICORNAVIRAL OR RHINOVIRUS AND CHEMICAL INTERMEDIATES SANOFI WINTHROP, INC. (US) 1997-07-01 US disclosed
US-5464848-A 1,2,4-oxadiazolyl-phenoxyalkylisoxazoles and their use as antiviral agents STERLING WINTHROP INC. (US) 1995-11-07 US disclosed