SCHEMBL6686555

SCHEMBL6686555

CCCCCCc1cc2c(cc1C(=O)Oc1ccc(C(=O)OCc3ccccc3)cn1)C(C)(C)CCC2(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 16/20 0.46
PPARG P37231 1/20 0.40
NR1H3 Q13133 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HNF4A P41235 2/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
RXRB P28702 2/20 0.37
RXRG P48443 2/20 0.37
RARA P10276 1/20 0.37
RARB P10826 1/20 0.37
RARG P13631 1/20 0.37
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL6684838 0.99 RXRA (0.46) RXRAPPARGNR1H3TDP1ALDH1A1
SCHEMBL6672709 0.91 RXRA (0.40) RXRAPPARGNR1H3TDP1ALDH1A1
SCHEMBL6685049 0.89 RXRA (0.51) RXRAPPARGNR1H3TDP1ALDH1A1
SCHEMBL6676520 0.89 RXRA (0.56) RXRAPPARGNR1H3HNF4ARXRB
SCHEMBL6673775 0.88 RXRA (0.57) RXRAPPARGNR1H3HNF4ARXRB
SCHEMBL4956986 0.80 RXRA (0.49) RXRAPPARGNR1H3HNF4ARXRB
SCHEMBL4958378 0.79 RXRA (0.46) RXRAPPARGNR1H3HNF4ARXRB
SCHEMBL20178976 0.77 RXRA (0.65) RXRACYP3A4HNF4ARXRBRXRG
SCHEMBL9850306 0.77 HIF1A (0.41) RXRATDP1ALDH1A1CYP3A4TSHR
SCHEMBL6675620 0.76 RXRA (0.65) RXRAPPARGNR1H3HNF4ARXRB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0862554-B1 AROMATIC CARBOXYLIC ACID ESTERS, THE PRODUCTION OF SAME AND USE OF SAME AS MEDICAMENTS HOFFMANN LA ROCHE (CH) 2004-10-20 EP disclosed
US-5958956-A SKIN DISORDERS; WOUND HEALING AGENTS HOFFMANN-LA ROCHE INC. (US) 1999-09-28 US disclosed
EP-0862554-A1 AROMATIC CARBOXYLIC ACID ESTERS, THE PRODUCTION OF SAME AND USE OF SAME AS MEDICAMENTS F. HOFFMANN-LA ROCHE AG (CH) 1998-09-09 EP disclosed
US-5726191-A TREATEMENT OF LIGHT AND AGE DAMAGED SKIN HOFFMANN-LA ROCHE INC. (US) 1998-03-10 US disclosed
WO-1997018192-A1 AROMATIC CARBOXYLIC ACID ESTERS, THE PRODUCTION OF SAME AND USE OF SAME AS MEDICAMENTS F. HOFFMANN-LA ROCHE AG (CH) 1997-05-22 WO disclosed