SCHEMBL7564352

SCHEMBL7564352

COCCOCOc1cc(C)c([Se]C#C/C(C)=C/C(=O)O)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.48
RARA P10276 5/20 0.47
RARG P13631 6/20 0.33
RARB P10826 3/20 0.33
F2 P00734 1/20 0.33
ELANE P08246 1/20 0.33
PLA2G4A P47712 1/20 0.32
S1PR1 P21453 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
MEN1 O00255 1/20 0.30
NR1I2 O75469 1/20 0.30
LMNA P02545 1/20 0.30
PGR P06401 1/20 0.30
HSPD1 P10809 1/20 0.30
GOT1 P17174 1/20 0.30
GLRA1 P23415 1/20 0.30
BLM P54132 1/20 0.30
HSPE1 P61604 1/20 0.30
KMT2A Q03164 1/20 0.30
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
SCHEMBL6477261 1.00 IKBKB (0.48) IKBKBRARARARGRARBF2
SCHEMBL6477180 0.91 IKBKB (0.45) IKBKBRARARARGRARB
SCHEMBL7562839 0.91 IKBKB (0.45) IKBKBRARARARGRARB
SCHEMBL6473721 0.89 IKBKB (0.48) IKBKBRARARARGS1PR1
SCHEMBL6472245 0.89 IKBKB (0.51) IKBKBRARARARGRARBF2
SCHEMBL7559814 0.89 IKBKB (0.48) IKBKBRARARARGS1PR1
SCHEMBL7559537 0.89 IKBKB (0.51) IKBKBRARARARGRARBF2
SCHEMBL6033249 0.79 IKBKB (0.51) IKBKBRARARARGRARBF2
SCHEMBL6472953 0.78 RARG (0.44) IKBKBRARARARGRARB
SCHEMBL7560505 0.78 RARG (0.44) IKBKBRARARARGRARB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0986537-B1 NOVEL HETEROETHYNYLENE COMPOUNDS AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME GALDERMA RES & DEV (FR) 2002-08-07 EP claimed
EP-0986537-A2 NOVEL HETEROETHYNYLENE COMPOUNDS AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME Galderma Research & Development, S.N.C. (FR) 2000-03-22 EP claimed
WO-1999050239-A2 NOVEL HETEROETHYNYLENE COMPOUNDS AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 1999-10-07 WO claimed
EP-0986537-B1 NOVEL HETEROETHYNYLENE COMPOUNDS AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME GALDERMA RES & DEV (FR) 2002-08-07 EP disclosed
EP-0986537-A2 NOVEL HETEROETHYNYLENE COMPOUNDS AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME Galderma Research & Development, S.N.C. (FR) 2000-03-22 EP disclosed
WO-1999050239-A2 NOVEL HETEROETHYNYLENE COMPOUNDS AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 1999-10-07 WO disclosed