SCHEMBL7558397

SCHEMBL7558397

Cc1cc2c(cc1[Se]C#C/C(=C/C(=O)O)c1ccccc1)C(C)(C)CCC2(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 19/20 0.42
RXRB P28702 12/20 0.42
RXRG P48443 12/20 0.42
RARG P13631 7/20 0.42
RARB P10826 6/20 0.41
RARA P10276 5/20 0.41
MEN1 O00255 1/20 0.39
CYP26A1 O43174 1/20 0.39
ABCB11 O95342 1/20 0.39
ESR1 P03372 1/20 0.39
PGR P06401 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD1 P21728 1/20 0.39
TBXA2R P21731 1/20 0.39
SLC6A2 P23975 1/20 0.39
ADRA1A P35348 1/20 0.39
OPRM1 P35372 1/20 0.39

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
SCHEMBL6473737 1.00 RXRA (0.42) RXRARXRBRXRGRARGRARB
SCHEMBL7560853 0.83 RXRA (0.48) RXRARXRBRXRGRARGRARB
SCHEMBL6476890 0.83 RXRA (0.48) RXRARXRBRXRGRARGRARB
SCHEMBL7560392 0.77 PLA2G4A (0.36) RXRARXRBRXRGRARGRARB
SCHEMBL7560394 0.77 PLA2G4A (0.36) RXRARXRBRXRGRARGRARB
SCHEMBL7558312 0.74 RXRA (0.41) RXRARXRBRXRGRARGRARB
SCHEMBL2910172 0.73 RARB (0.61) RXRARXRBRXRGRARGRARB
SCHEMBL7563931 0.72 RXRA (0.39) RXRARXRBRXRGRARGRARB
SCHEMBL6478019 0.72 RXRA (0.39) RXRARXRBRXRGRARGRARB
SCHEMBL6473558 0.72 MRGPRX4 (0.35) RXRARXRBRXRGRARGRARB

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 2 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
US-6444709-B1 SKIN DISORDERS; ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS; CARDIOVASCULAR DISORDERS GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) 2002-09-03 US disclosed