SCHEMBL8458070

SCHEMBL8458070

CCCCC=Cc1cc2c(cc1C(=O)Oc1ccc(C(=O)OCC=CC[Si](C)(C)C)cn1)C(C)(C)CCC2(C)C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 16/20 0.40
RARA P10276 3/20 0.34
RARB P10826 3/20 0.34
RARG P13631 2/20 0.34
CYP3A4 P08684 1/20 0.34
KMT2A Q03164 1/20 0.34
PPARG P37231 1/20 0.33
NR1H3 Q13133 1/20 0.33
PDE4B Q07343 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
HNF4A P41235 5/20 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
SCHEMBL6688833 1.00 RXRA (0.40) RXRARARARARBRARGCYP3A4
SCHEMBL8458065 1.00 RXRA (0.40) RXRARARARARBRARGCYP3A4
SCHEMBL4960820 0.87 RXRA (0.52) RXRARARARARBRARGPPARG
SCHEMBL4960828 0.87 RXRA (0.52) RXRARARARARBRARGPPARG
SCHEMBL8458066 0.86 RXRA (0.34) RXRARARARARBRARGCYP3A4
SCHEMBL8462265 0.72 RXRA (0.45) RXRARARARARBRARGPPARG
SCHEMBL4959128 0.72 RXRA (0.67) RXRARARARARBRARGPPARG
SCHEMBL6685049 0.71 RXRA (0.51) RXRACYP3A4KMT2APPARGNR1H3
SCHEMBL6675620 0.70 RXRA (0.65) RXRARARARARBRARGPPARG
SCHEMBL8459590 0.69 RXRA (0.45) RXRARARARARBRARGRXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5958956-A SKIN DISORDERS; WOUND HEALING AGENTS HOFFMANN-LA ROCHE INC. (US) 1999-09-28 US disclosed
US-5726191-A TREATEMENT OF LIGHT AND AGE DAMAGED SKIN HOFFMANN-LA ROCHE INC. (US) 1998-03-10 US disclosed