SCHEMBL7714822

SCHEMBL7714822

C#CC(C)(O)c1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 14/20 0.51
RXRB P28702 10/20 0.51
RARB P10826 10/20 0.39
RARG P13631 9/20 0.39
RARA P10276 7/20 0.39
CYP26A1 O43174 3/20 0.39
CYP3A4 P08684 2/20 0.39
CRABP2 P29373 1/20 0.39
RXRG P48443 6/20 0.39
MEN1 O00255 1/20 0.38
PGR P06401 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
TBXA2R P21731 1/20 0.38
BLVRB P30043 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP26B1 Q9NR63 1/20 0.36

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
SCHEMBL7714855 0.79 RXRA (0.47) RXRARXRBRARBRARGRARA
SCHEMBL8441961 0.75 RXRA (0.66) RXRARXRBRARBRARGRARA
SCHEMBL8839185 0.74 RXRA (0.62) RXRARXRBRARBRARGRARA
SCHEMBL8730978 0.74 RXRA (0.51) RXRARXRBRARBRARGRARA
SCHEMBL6146095 0.73 RXRA (0.54) RXRARXRBRARBRARGRARA
SCHEMBL6147245 0.73 RXRA (0.50) RXRARXRBRARBRARGRARA
SCHEMBL6147894 0.72 RXRA (0.64) RXRARXRBRARBRARGRARA
SCHEMBL2654848 0.72 RXRA (0.64) RXRARXRBRARBRARGRARA
SCHEMBL8681677 0.72 RARB (0.67) RXRARXRBRARBRARGRARA
SCHEMBL17210661 0.72 MEN1 (0.39) CYP3A4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6368608-B1 SKIN DISORDERS CENTRE INTERNATIONAL DE RECHERCHE DERMATOLOGIQUES GALDERMA (C.I.R.D.) (FR) 2002-04-09 US disclosed
US-6162445-A Polyaromatic propynyl compounds and pharmaceutical/cosmetic compositions comprised thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 2000-12-19 US disclosed
EP-0661258-B1 Biaromatic propynyl compounds, pharmaceutical compositions and cosmetics containing them and their uses CIRD GALDERMA (FR) 1998-04-08 EP disclosed
US-5716624-A USEFUL FOR TREATING DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR, OPTHALMOLOGICAL DISORDERS, AS WELL AS MAMMALIAN SKIN AND HAIR CONDITIONS/DISORDERS C.I.R.D. GALDERMA (FR) 1998-02-10 US disclosed
EP-0661258-A1 Biaromatic propynyl compounds, pharmaceutical compositions and cosmetics containing them and their uses CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA, ( CIRD GALDERMA) (FR) 1995-07-05 EP disclosed