SCHEMBL7212372

SCHEMBL7212372

CCCCCCCOc1cc2c(cc1C=O)C1(C)CCCC2(C)C1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.34
PPARG P37231 1/20 0.34
NR1H3 Q13133 1/20 0.34
POLA1 P09884 2/20 0.32
CNR2 P34972 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CNR1 P21554 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
SCHEMBL8905399 1.00 RXRA (0.34) RXRAPPARGNR1H3POLA1CNR2
SCHEMBL7212192 0.85 RXRA (0.33) RXRAPPARGNR1H3CNR2CNR1
SCHEMBL7212191 0.83 RXRA (0.41) RXRAPPARGNR1H3ALDH1A1
SCHEMBL7212117 0.80 RXRA (0.33) RXRAPPARGNR1H3
SCHEMBL7207118 0.77 RXRA (0.45) RXRAPPARG
SCHEMBL8904568 0.75 RXRA (0.35) RXRACNR2ALDH1A1CNR1
SCHEMBL8597944 0.75 RXRA (0.37) RXRA
SCHEMBL7207907 0.74 RXRA (0.47) RXRAPPARGNR1H3KDM4EALDH1A1
SCHEMBL278733 0.69 LMNA (0.44) KDM4EALDH1A1
SCHEMBL31078471 0.69 LMNA (0.44) KDM4EALDH1A1

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