SCHEMBL8735114

SCHEMBL8735114

CC1(C)CCC(C)(C)c2cc(C=CCc3ccc(C(=O)O)nc3)ccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.64
RARG P13631 9/20 0.64
RARA P10276 8/20 0.64
RXRA P19793 13/20 0.47
RXRB P28702 6/20 0.47
RXRG P48443 5/20 0.47
CYP26A1 O43174 3/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
GMNN O75496 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
NFKB1 P19838 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL9205579 0.78 RARB (1.00) RARBRARGRARARXRARXRB
SCHEMBL6740925 0.76 RARB (0.71) RARBRARGRARARXRARXRB
SCHEMBL6740919 0.76 RARB (0.71) RARBRARGRARARXRARXRB
SCHEMBL1073661 0.74 RARA (0.70) RARBRARGRARARXRARXRB
SCHEMBL728001 0.73 RARB (0.74) RARBRARGRARARXRARXRB
SCHEMBL10937494 0.72 RARA (0.54) RARBRARGRARARXRARXRB
SCHEMBL7753443 0.72 RXRA (0.48) RARBRARGRARARXRARXRB
SCHEMBL10937497 0.72 RARA (0.54) RARBRARGRARARXRARXRB
SCHEMBL8361355 0.71 RARB (0.57) RARBRARGRARARXRARXRB
SCHEMBL8361347 0.71 RARB (0.57) RARBRARGRARARXRARXRB

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-0879223-A1 AROMATIC POLYCYCLIC RETINOID-TYPE DERIVATIVES, METHOD FOR PREPARING SAME, AND USE THEREOF FOR MAKING PHARMACEUTICAL AND COSMETIC COMPOSITIONS Centre Europeen de Bioprospective -CEB (FR) 1998-11-25 EP disclosed
WO-1997026237-A1 AROMATIC POLYCYCLIC RETINOID-TYPE DERIVATIVES, METHOD FOR PREPARING SAME, AND USE THEREOF FOR MAKING PHARMACEUTICAL AND COSMETIC COMPOSITIONS CENTRE EUROPEEN DE BIOPROSPECTIVE - CEB (FR) 1997-07-24 WO disclosed