SCHEMBL7756350

SCHEMBL7756350

COCCOCOc1ccc(/C(C)=C/c2ccc(OC(=O)O)nc2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 8/20 0.62
IKBKB O14920 4/20 0.62
RARG P13631 9/20 0.55
RARB P10826 6/20 0.55
HDAC11 Q96DB2 3/20 0.37
HDAC2 Q92769 1/20 0.37
MEN1 O00255 1/20 0.36
NR1I2 O75469 1/20 0.36
LMNA P02545 1/20 0.36
PGR P06401 1/20 0.36
HSPD1 P10809 1/20 0.36
GOT1 P17174 1/20 0.36
GLRA1 P23415 1/20 0.36
BLM P54132 1/20 0.36
HSPE1 P61604 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC8 Q9BY41 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
SCHEMBL7756392 1.00 RARA (0.62) RARAIKBKBRARGRARBHDAC11
SCHEMBL5887816 0.89 RARA (0.66) RARAIKBKBRARGRARBHDAC11
SCHEMBL5888246 0.89 RARA (0.66) RARAIKBKBRARGRARBHDAC11
SCHEMBL7757436 0.89 RARA (0.66) RARAIKBKBRARGRARBHDAC11
SCHEMBL5887938 0.87 RARA (0.76) RARAIKBKBRARGRARBMEN1
SCHEMBL5887942 0.86 RARA (0.60) RARAIKBKBRARGRARBHDAC11
SCHEMBL5887935 0.86 RARA (0.60) RARAIKBKBRARGRARBHDAC11
SCHEMBL5888026 0.86 RARA (0.59) RARAIKBKBRARGRARBHDAC11
SCHEMBL5888223 0.85 RARA (0.65) RARAIKBKBRARGRARBHDAC11
SCHEMBL5888169 0.85 RARA (0.64) RARAIKBKBRARGRARBHDAC11

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