SCHEMBL7213554

SCHEMBL7213554

CCCCCc1cc2c(cc1/C=C/c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 11/20 0.64
RARG P13631 11/20 0.64
RARA P10276 10/20 0.64
RXRA P19793 13/20 0.57
RXRB P28702 3/20 0.54
RXRG P48443 3/20 0.54
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
CYP26A1 O43174 1/20 0.47
GMNN O75496 1/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
NFKB1 P19838 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL7213560 1.00 RARB (0.64) RARBRARGRARARXRARXRB
SCHEMBL10842686 0.99 RARB (0.63) RARBRARGRARARXRARXRB
SCHEMBL4669370 0.99 RARB (0.63) RARBRARGRARARXRARXRB
SCHEMBL10842696 0.99 RARB (0.63) RARBRARGRARARXRARXRB
SCHEMBL4669367 0.99 RARB (0.63) RARBRARGRARARXRARXRB
SCHEMBL7212228 0.99 RARB (0.63) RARBRARGRARARXRARXRB
SCHEMBL7212226 0.99 RARB (0.63) RARBRARGRARARXRARXRB
SCHEMBL7062512 0.97 RARB (0.65) RARBRARGRARARXRARXRB
SCHEMBL7062517 0.97 RARB (0.65) RARBRARGRARARXRARXRB
SCHEMBL14017859 0.92 RARB (0.68) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641759-B1 Use of aromatic carboxylic derivatives for the preparation of drugs HOFFMANN LA ROCHE (CH) 1998-12-09 EP claimed
EP-0641759-A1 Aromatic carboxylic acid derivatives, their preparation and drugs containing these derivatives F. HOFFMANN-LA ROCHE AG (CH) 1995-03-08 EP claimed
EP-1324970-B1 RETINOIDS FOR THE TREATMENT OF EMPHYSEMA HOFFMANN LA ROCHE (CH) 2008-11-05 EP disclosed
EP-1935869-A1 Retinoids for the treatment of emphysema F. HOFFMANN-LA ROCHE AG (CH) 2008-06-25 EP disclosed
US-6610877-B1 Treating photo and/or age damaged skin HOFFMAN-LA ROCHE INC. 2003-08-26 US disclosed
EP-0641759-B1 Use of aromatic carboxylic derivatives for the preparation of drugs HOFFMANN LA ROCHE (CH) 1998-12-09 EP disclosed
EP-0641759-A1 Aromatic carboxylic acid derivatives, their preparation and drugs containing these derivatives F. HOFFMANN-LA ROCHE AG (CH) 1995-03-08 EP disclosed
US-4578498-A FOR SKIN DISORDERS; REDUCED TOXICITY BASF AKTIENGESELLSCHAFT (DE) 1986-03-25 US disclosed