SCHEMBL8904396

SCHEMBL8904396

C=CCOc1cc2c(cc1-c1c(C=C)cccc1C(=O)O)C(C)(C)CCC2(C)C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
RXRA P19793 13/20 0.42
RXRB P28702 3/20 0.42
RXRG P48443 3/20 0.42
HNF4A P41235 3/20 0.40
RARA P10276 2/20 0.36
RARB P10826 2/20 0.36
RARG P13631 2/20 0.36
CXCR5 P32302 1/20 0.36
LIG1 P18858 1/20 0.36
CYP26A1 O43174 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP26B1 Q9NR63 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL8905715 0.86 RXRA (0.40) RXRARXRBRXRGHNF4ARARA
SCHEMBL8904383 0.80 RXRA (0.44) GAATSHRRXRARXRBRXRG
SCHEMBL8904386 0.80 RXRA (0.44) GAATSHRRXRARXRBRXRG
SCHEMBL8904922 0.74 PTPN11 (0.42) RXRAHNF4ACYP3A4MEN1KMT2A
SCHEMBL7207067 0.69 RARB (0.63) RXRARXRBRXRGHNF4ARARA
SCHEMBL7207075 0.69 RARB (0.63) RXRARXRBRXRGHNF4ARARA
SCHEMBL1646799 0.68 ALDH1A1 (0.51) GAAHNF4ACYP3A4MEN1KMT2A
SCHEMBL8905100 0.66 RXRA (0.53) RXRARXRBRXRGHNF4ARARA
SCHEMBL7213606 0.66 RXRA (0.55) RXRARXRBRXRGRARARARB
SCHEMBL7213602 0.66 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 1 patent. claimed = in the patent's claims; disclosed = body only.

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