SCHEMBL7558331

SCHEMBL7558331

CC(C#C[Se]c1cc(OCc2ccccc2)c2c(c1)C(C)(C)CCC2(C)C)=CC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.36
RARA P10276 3/20 0.36
RARB P10826 3/20 0.36
RARG P13631 3/20 0.36
RXRB P28702 3/20 0.36
RXRG P48443 3/20 0.36
PLA2G4A P47712 2/20 0.36
PRKCA P17252 1/20 0.34
LTB4R Q15722 2/20 0.33
LTB4R2 Q9NPC1 2/20 0.33
MAOB P27338 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
BRD4 O60885 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
PTGER1 P34995 2/20 0.33
CASP3 P42574 1/20 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
SCHEMBL7558329 1.00 RXRA (0.36) RXRARARARARBRARGRXRB
SCHEMBL6472712 0.90 RARA (0.34) RXRARARARARBRARGRXRB
SCHEMBL7560404 0.90 RARA (0.34) RXRARARARARBRARGRXRB
SCHEMBL6473558 0.90 MRGPRX4 (0.35) RXRARARARARBRARGRXRB
SCHEMBL6530316 0.90 MRGPRX4 (0.35) RXRARARARARBRARGRXRB
SCHEMBL7561527 0.87 RXRA (0.48) RXRARARARARBRARGRXRB
SCHEMBL6476755 0.87 RXRA (0.48) RXRARARARARBRARGRXRB
SCHEMBL7557791 0.87 RXRA (0.37) RXRARARARARBRARGRXRB
SCHEMBL6472526 0.87 RXRA (0.37) RXRARARARARBRARGRXRB
SCHEMBL6526612 0.83 RXRA (0.42) RXRARARARARBRARGRXRB

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