SCHEMBL4666918

SCHEMBL4666918

CC1(C)CCC(C)(C)c2cc(CCn3ccnc3)c(/C=C/c3ccc(C(=O)O)cc3)cc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.55
RARG P13631 10/20 0.55
RARA P10276 9/20 0.55
TBXAS1 P24557 7/20 0.49
RXRA P19793 7/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
CYP26A1 O43174 1/20 0.41
GMNN O75496 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL14018629 0.94 RARB (0.53) RARBRARGRARATBXAS1RXRA
SCHEMBL4666458 0.83 RARB (0.55) RARBRARGRARARXRARXRB
SCHEMBL4666453 0.83 RARB (0.55) RARBRARGRARARXRARXRB
SCHEMBL4668050 0.83 RARB (0.55) RARBRARGRARARXRARXRB
SCHEMBL4668048 0.83 RARB (0.55) RARBRARGRARARXRARXRB
SCHEMBL4669340 0.82 RARB (0.58) RARBRARGRARARXRARXRB
SCHEMBL4669346 0.82 RARB (0.58) RARBRARGRARARXRARXRB
SCHEMBL4669339 0.81 RARB (0.58) RARBRARGRARARXRARXRB
SCHEMBL4669347 0.81 RARB (0.58) RARBRARGRARARXRARXRB
SCHEMBL14017859 0.81 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1935869-A1 Retinoids for the treatment of emphysema F. HOFFMANN-LA ROCHE AG (CH) 2008-06-25 EP disclosed