SCHEMBL7533702

SCHEMBL7533702

CCOC(=O)CCCC(O)C=Cc1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.68
NR4A2 P43354 1/20 0.68
PDE4D Q08499 1/20 0.68
RXRA P19793 2/20 0.65
HMGCR P04035 2/20 0.65
PRKAA2 P54646 1/20 0.48
KDM4E B2RXH2 3/20 0.40
PDE5A O76074 1/20 0.40
FAAH O00519 1/20 0.40
TOP2A P11388 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL13257547 0.93 NR4A2 (0.65) NR1I2NR4A2PDE4DRXRAHMGCR
SCHEMBL4911326 0.91 NR4A2 (0.71) NR1I2NR4A2PDE4DRXRAHMGCR
SCHEMBL4911333 0.91 NR4A2 (0.71) NR1I2NR4A2PDE4DRXRAHMGCR
SCHEMBL30881627 0.89 NR4A2 (0.80) NR1I2NR4A2PDE4DRXRAHMGCR
SCHEMBL30291805 0.89 NR4A2 (0.80) NR1I2NR4A2PDE4DRXRAHMGCR
SCHEMBL30203740 0.89 NR4A2 (0.80) NR1I2NR4A2PDE4DRXRAHMGCR
SCHEMBL14273684 0.89 NR4A2 (0.80) NR1I2NR4A2PDE4DRXRAHMGCR
SCHEMBL1582437 0.89 NR4A2 (0.80) NR1I2NR4A2PDE4DRXRAHMGCR
SCHEMBL2904607 0.89 NR4A2 (0.80) NR1I2NR4A2PDE4DRXRAHMGCR
SCHEMBL10153166 0.89 NR4A2 (0.80) NR1I2NR4A2PDE4DRXRAHMGCR

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
EP-0747341-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE MEVALONOLACTONE COMPOUNDS DAICEL CHEM (JP) 2002-05-22 EP disclosed
EP-0747341-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE MEVALONOLACTONE COMPOUND DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-11 EP disclosed