SCHEMBL8624243

SCHEMBL8624243

CCC#CCOc1cc2c(cc1/C=C/C=C/C(C)=C/C(=O)OCC)C(C)(C)CCC2(C)C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 18/20 0.46
RXRG P48443 14/20 0.46
RXRB P28702 14/20 0.46
RARG P13631 6/20 0.46
RARB P10826 5/20 0.46
RARA P10276 3/20 0.46
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
HNF4A P41235 2/20 0.33

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
SCHEMBL7208556 0.90 RXRA (0.55) RXRARXRGRXRBRARGRARB
SCHEMBL7208553 0.90 RXRA (0.55) RXRARXRGRXRBRARGRARB
SCHEMBL8595293 0.76 RXRA (0.41) RXRARXRGRXRBRARGRARB
SCHEMBL7208727 0.75 RXRA (0.71) RXRARXRGRXRBRARGRARB
SCHEMBL7208488 0.75 RXRA (0.71) RXRARXRGRXRBRARGRARB
SCHEMBL7208494 0.75 RXRA (0.71) RXRARXRGRXRBRARGRARB
SCHEMBL7212158 0.74 RXRA (0.63) RXRARXRGRXRBRARGRARB
SCHEMBL7061866 0.74 RXRA (0.63) RXRARXRGRXRBRARGRARB
SCHEMBL7061862 0.74 RXRA (0.63) RXRARXRGRXRBRARGRARB
SCHEMBL7212264 0.74 RXRA (0.36) RXRARXRGRXRBRARGRARB

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 4 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-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