SCHEMBL7213482

SCHEMBL7213482

CCCOc1cc2c(cc1C=O)C(C)(C)CCC2(C)C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 15/20 0.48
RXRB P28702 3/20 0.48
RXRG P48443 3/20 0.48
RARA P10276 2/20 0.48
RARB P10826 2/20 0.48
RARG P13631 2/20 0.48
HNF4A P41235 3/20 0.39
PPARG P37231 1/20 0.39
NR1H3 Q13133 1/20 0.39
ERN1 O75460 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MDM2 Q00987 2/20 0.38

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
SCHEMBL7207907 0.91 RXRA (0.47) RXRARXRBRXRGRARARARB
SCHEMBL8810710 0.82 RXRA (0.36) RXRARXRBRXRGRARARARB
SCHEMBL7212264 0.80 RXRA (0.36) RXRARXRBRXRGRARARARB
SCHEMBL28648665 0.80 LMNA (0.48) ERN1KDM4EALDH1A1MDM2
SCHEMBL6878500 0.80 RXRA (0.46) RXRARXRBRXRGRARARARB
SCHEMBL6917408 0.79 RXRA (0.49) RXRARXRBRXRGRARARARB
SCHEMBL727912 0.79 RXRA (0.46) RXRARXRBRXRGRARARARB
SCHEMBL7713216 0.79 ALDH1A1 (0.55) RXRARXRBRXRGRARARARB
SCHEMBL6917452 0.77 RXRA (0.47) RXRARXRBRXRGRARARARB
SCHEMBL6477145 0.77 RXRA (0.49) RXRARXRBRXRGRARARARB

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
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
US-5700836-A TOPICALLY ADMINISTERING TO TREAT PHOTODAMAGED SKIN HOFFMANN-LA ROCHE INC. (US) 1997-12-23 US 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