SCHEMBL7212264

SCHEMBL7212264

CCC#CCOc1cc2c(cc1C=O)C(C)(C)CCC2(C)C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 12/20 0.36
HNF4A P41235 4/20 0.36
RXRB P28702 3/20 0.34
RXRG P48443 3/20 0.34
RARA P10276 2/20 0.34
RARB P10826 2/20 0.34
RARG P13631 2/20 0.34
MTNR1A P48039 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.31
TUBB1 Q9H4B7 1/20 0.31
PPARG P37231 1/20 0.30
NR1H3 Q13133 1/20 0.30

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
SCHEMBL7213482 0.80 RXRA (0.48) RXRAHNF4ARXRBRXRGRARA
SCHEMBL7207907 0.78 RXRA (0.47) RXRAHNF4ARXRBRXRGRARA
SCHEMBL8905707 0.78 RXRA (0.43) RXRAHNF4ARXRBRXRGRARA
SCHEMBL7208528 0.78 RARB (0.59) RXRAHNF4ARXRBRXRGRARA
SCHEMBL8905703 0.78 RXRA (0.43) RXRAHNF4ARXRBRXRGRARA
SCHEMBL7208519 0.78 RARB (0.59) RXRAHNF4ARXRBRXRGRARA
SCHEMBL8810710 0.77 RXRA (0.36) RXRAHNF4ARXRBRXRGRARA
SCHEMBL7208556 0.76 RXRA (0.55) RXRARXRBRXRGRARARARB
SCHEMBL8808245 0.76 RARA (0.43) RXRAHNF4ARARARARBRARG
SCHEMBL7208553 0.76 RXRA (0.55) 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 6 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
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