SCHEMBL9094461

SCHEMBL9094461

CCC1=CC(=O)C(C)(OC(=O)CCN)O1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
POLB P06746 2/20 0.34
RECQL P46063 2/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
THRB P10828 1/20 0.31
HCAR3 P49019 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL9095139 0.90 MEN1 (0.38) MAPTMEN1KMT2APOLBRECQL
SCHEMBL9094619 0.70 MEN1 (0.33) MAPTMEN1KMT2AHCAR3HCAR2
SCHEMBL10180847 0.64 HCAR3 (0.33) HCAR3HCAR2
SCHEMBL9094857 0.62 CYP1A2 (0.41) MAPTMEN1KMT2A
SCHEMBL18782704 0.61 CYP19A1 (0.37)
SCHEMBL13688430 0.58 CYP19A1 (0.45) ALDH1A1
SCHEMBL13228149 0.56 PTPN1 (0.47) ALDH1A1
SCHEMBL14075281 0.55 KMT2A (0.52) MAPTKMT2APOLBRECQLALDH1A1
SCHEMBL8425192 0.55 KDM4E (0.47) MAPTMEN1KMT2ARECQLKDM4E
SCHEMBL64965 0.55

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-0737476-A2 A pharmaceutical preparation containing a 3-(2H)-furanone derivative for prevention and/or treatment of cataracts KIKKOMAN CORPORATION (JP) 1996-10-16 EP disclosed