SCHEMBL9006914

SCHEMBL9006914

C#CSc1ccc2c(c1)OCCC2(C)C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.35
RARG P13631 5/20 0.35
RARA P10276 4/20 0.35
MAP3K14 Q99558 3/20 0.35
RXRA P19793 3/20 0.34
HNF4A P41235 1/20 0.34
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
CYP26A1 O43174 2/20 0.32
CYP26B1 Q9NR63 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
SCHEMBL4370337 0.88 RARB (0.43) RARBRARGRARAMAP3K14RXRA
SCHEMBL9006928 0.83 RARA (0.33) RARBRARGRARAMAP3K14RXRA
SCHEMBL7713129 0.81 RARB (0.36) RARBRARGRARAMAP3K14RXRA
SCHEMBL6670543 0.79 MAP3K14 (0.43) RARBRARGRARAMAP3K14RXRA
SCHEMBL7560489 0.77 RXRA (0.50) RARBRARGRARARXRARXRB
SCHEMBL9185941 0.77 RARB (0.44) RARBRARGRARAMAP3K14RXRA
SCHEMBL6668122 0.77 MAP3K14 (0.39) RARBRARGRARAMAP3K14RXRA
SCHEMBL6668004 0.75 RARA (0.34) RARBRARGRARAMAP3K14RXRA
SCHEMBL6664711 0.74 MAP3K14 (0.37) RARBRARGRARAMAP3K14RXRA
SCHEMBL3263391 0.74 MAP3K14 (0.35) RARBRARGRARAMAP3K14RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0571546-B1 CHROMAN AND THIOCHROMANS WITH PHENYLETHYNYL SUBSTITUENTS AT THE 7-POSITION HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN INC (US) 1996-10-16 EP disclosed
US-5346915-A Chromans and thiochromans with phenylethynyl substituents at the 7-position having retinold-like biological activity ALLERGAN, INC. (US) 1994-09-13 US disclosed
EP-0571546-A1 CHROMAN AND THIOCHROMANS WITH PHENYLETHYNYL SUBSTITUENTS AT THE 7-POSITION HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY. ALLERGAN INC (US) 1993-12-01 EP disclosed
WO-1992014725-A1 CHROMAN AND THIOCHROMANS WITH PHENYLETHYNYL SUBSTITUENTS AT THE 7-POSITION HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN, INC. (US) 1992-09-03 WO disclosed