SCHEMBL9143045

SCHEMBL9143045

CCOC(=O)c1ccc(C=C(C)c2ccc3c(c2)OCCC3(C)C)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 18/20 0.66
RARG P13631 18/20 0.66
RARA P10276 16/20 0.66
RXRA P19793 8/20 0.50
USP2 O75604 2/20 0.50
LMNA P02545 2/20 0.50
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
CYP26A1 O43174 1/20 0.50
GMNN O75496 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
POLB P06746 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
NFKB1 P19838 1/20 0.50
CYP2C19 P33261 1/20 0.50
THPO P40225 1/20 0.50
MTOR P42345 1/20 0.50

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
SCHEMBL9143040 1.00 RARB (0.66) RARBRARGRARARXRAUSP2
SCHEMBL10693318 0.92 RARB (0.79) RARBRARGRARARXRAUSP2
SCHEMBL10693328 0.92 RARB (0.79) RARBRARGRARARXRAUSP2
SCHEMBL10937431 0.92 RARB (0.79) RARBRARGRARARXRAUSP2
SCHEMBL8460517 0.85 RARB (0.83) RARBRARGRARARXRAUSP2
Arotinoid SCHEMBL29430179 0.85 RARG (0.70) RARBRARGRARARXRAUSP2
Arotinoid SCHEMBL2890175 0.85 RARG (0.70) RARBRARGRARARXRAUSP2
SCHEMBL8460515 0.85 RARB (0.83) RARBRARGRARARXRAUSP2
Arotinoid SCHEMBL2890176 0.85 RARG (0.70) RARBRARGRARARXRAUSP2
SCHEMBL9143383 0.83 MAPT (0.59) RARBRARGRARAUSP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0350846-B1 Condensed heterocyclic compounds and their use in therapy HOFFMANN LA ROCHE (CH) 1995-10-11 EP claimed
JP-2076862-A None JP disclosed
US-5420273-A Skin disorders and antitumor agents HOFFMAN-LA ROCHE INC. (US) 1995-05-30 US disclosed
US-5300522-A Treating inflammatory, allergic, rheumatic, immunological disorders HOFFMANN-LA ROCHE INC. (US) 1994-04-05 US disclosed
US-5164387-A Antitumor agents, skin disorders, antiinflammatory agents HOFFMANN-LAROCHE INC. (US) 1992-11-17 US disclosed
US-5037825-A Useful In The Treatment Of Neoplasms, Dermatoses And Aging Of The Skin HOFFMANN-LA ROCHE INC. (US) 1991-08-06 US disclosed
JP-H0276862-A HETEROCYCLIC COMPOUND F HOFFMANN LA ROCHE AG 1990-03-16 JP disclosed