SCHEMBL8665787

SCHEMBL8665787

O=C(O)c1csc(-c2cccc3cc(C(=O)OCc4ccccc4)c(C45CC6CC(CC(C6)C4)C5)cc23)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
FAAH O00519 1/20 0.34
CNR2 P34972 1/20 0.34
POLB P06746 1/20 0.34
EPHX2 P34913 2/20 0.33
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
TBXA2R P21731 1/20 0.33
DRD4 P21917 1/20 0.33
DRD5 P21918 1/20 0.33
PTGER1 P34995 1/20 0.33
PTGER4 P35408 1/20 0.33
DRD3 P35462 1/20 0.33
PTGFR P43088 1/20 0.33
PTGER3 P43115 1/20 0.33
PTGER2 P43116 1/20 0.33
PTGIR P43119 1/20 0.33
RARB P10826 4/20 0.33

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
SCHEMBL8662795 0.84 MEN1 (0.46) ALDH1A1KMT2AMEN1FAAHCNR2
SCHEMBL8692871 0.76 MEN1 (0.40) ALDH1A1KMT2AMEN1CNR2EPHX2
SCHEMBL7511260 0.74 MEN1 (0.61) ALDH1A1KMT2AMEN1FAAHCNR2
SCHEMBL8459789 0.73 MEN1 (0.45) ALDH1A1KMT2AMEN1FAAHCNR2
SCHEMBL8459793 0.71 KMT2A (0.45) ALDH1A1KMT2AMEN1FAAHCNR2
SCHEMBL8766427 0.71 RARG (0.61) ALDH1A1KMT2AMEN1FAAHCNR2
SCHEMBL8766629 0.70 RARB (0.42) ALDH1A1KMT2AMEN1EPHX2RARB
SCHEMBL9317856 0.69 MEN1 (0.42) ALDH1A1KMT2AMEN1FAAHCNR2
SCHEMBL8767040 0.69 RARB (0.44) ALDH1A1KMT2AMEN1CNR2RARB
SCHEMBL7929993 0.69 MEN1 (0.51) ALDH1A1KMT2AMEN1FAAHCNR2

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-0658553-B1 Polycyclic aromatic compounds, pharmaceutical and cosmetic compositions containing them and uses thereof CIRD GALDERMA (FR) 1998-11-04 EP disclosed