SCHEMBL7758465

SCHEMBL7758465

CCNC(=O)c1ccc(C=C(C)c2ccc(OCOC(C)OC)c(C34CC5CC(CC(C5)C3)C4)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARA P10276 5/20 0.56
RARB P10826 3/20 0.56
RARG P13631 3/20 0.56
IKBKB O14920 2/20 0.46
PPARG P37231 10/20 0.40
PPARA Q07869 7/20 0.40
PPARD Q03181 6/20 0.40
HDAC11 Q96DB2 3/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL5888249 1.00 RARA (0.56) RARARARBRARGIKBKBPPARG
SCHEMBL5887932 0.89 RARA (0.71) RARARARBRARGIKBKB
SCHEMBL5887955 0.89 RARA (0.71) RARARARBRARGIKBKB
SCHEMBL5887940 0.89 RARA (0.71) RARARARBRARGIKBKB
SCHEMBL5888220 0.88 RARA (0.59) RARARARBRARGIKBKBHDAC11
SCHEMBL5888228 0.88 RARA (0.59) RARARARBRARGIKBKBHDAC11
SCHEMBL5888174 0.88 RARA (0.59) RARARARBRARGIKBKBHDAC11
SCHEMBL5888165 0.88 RARA (0.59) RARARARBRARGIKBKBHDAC11
SCHEMBL8428586 0.88 RARA (0.62) RARARARBRARGIKBKBPPARG
SCHEMBL5888463 0.88 RARA (0.57) RARARARBRARGIKBKBHDAC11

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-0850909-B1 Stilbene compounds with adamantyl group, compositions containing the same and uses CT INTERNAT DE (FR) 2001-03-21 EP claimed