SCHEMBL7560404

SCHEMBL7560404

CCOC(=O)/C=C(\C)C#C[Se]c1cc(OCc2ccccc2)c2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
RARG P13631 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
MMP2 P08253 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.33
PRKCA P17252 1/20 0.33
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
PTGER1 P34995 1/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PPARG P37231 1/20 0.32

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
SCHEMBL6472712 1.00 RARA (0.34) RARARARBRARGRXRARXRB
SCHEMBL7558331 0.90 RXRA (0.36) RARARARBRARGRXRARXRB
SCHEMBL7558329 0.90 RXRA (0.36) RARARARBRARGRXRARXRB
SCHEMBL6473357 0.88 RXRA (0.40) RARARARBRARGRXRARXRB
SCHEMBL7565093 0.88 RXRA (0.40) RARARARBRARGRXRARXRB
SCHEMBL7558406 0.87 RXRA (0.33) RARARARBRARGRXRARXRB
SCHEMBL6478308 0.87 RXRA (0.33) RARARARBRARGRXRARXRB
SCHEMBL6472493 0.85 RXRA (0.39) RARARARBRARGRXRARXRB
SCHEMBL7562918 0.85 RXRA (0.39) RARARARBRARGRXRARXRB
SCHEMBL6473558 0.82 MRGPRX4 (0.35) RARARARBRARGRXRARXRB

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-0986537-B1 NOVEL HETEROETHYNYLENE COMPOUNDS AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME GALDERMA RES & DEV (FR) 2002-08-07 EP claimed