SCHEMBL8198622

SCHEMBL8198622

C/C(=C\c1ccccc1C(=O)O)c1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 17/20 0.65
RXRA P19793 15/20 0.65
RARB P10826 15/20 0.65
RARA P10276 13/20 0.65
CYP26A1 O43174 2/20 0.65
KDM4E B2RXH2 1/20 0.65
NPC1 O15118 1/20 0.65
GMNN O75496 1/20 0.65
USP2 O75604 1/20 0.65
ALDH1A1 P00352 1/20 0.65
LMNA P02545 1/20 0.65
TP53 P04637 1/20 0.65
CYP1A2 P05177 1/20 0.65
POLB P06746 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2D6 P10635 1/20 0.65
NFKB1 P19838 1/20 0.65
CYP2C19 P33261 1/20 0.65
THPO P40225 1/20 0.65
MTOR P42345 1/20 0.65

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
SCHEMBL6257667 1.00 RARG (0.65) RARGRXRARARBRARACYP26A1
SCHEMBL32671443 1.00 RARG (0.65) RARGRXRARARBRARACYP26A1
SCHEMBL8434584 0.93 RARG (0.55) RARGRXRARARBRARACYP26A1
SCHEMBL9116317 0.86 RARG (0.54) RARGRXRARARBRARACYP26A1
SCHEMBL8436608 0.85 RXRA (0.66) RARGRXRARARBRARACYP26A1
SCHEMBL8845929 0.84 RARG (0.57) RARGRXRARARBRARACYP26A1
SCHEMBL8845924 0.84 RARG (0.57) RARGRXRARARBRARACYP26A1
SCHEMBL31191744 0.83 RARG (0.48) RARGRXRARARBRARACYP26A1
SCHEMBL8845931 0.82 RARG (0.59) RARGRXRARARBRARACYP26A1
SCHEMBL8776319 0.82 RARG (0.56) RARGRXRARARBRARACYP26A1

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-6110485-A INCLUDES A THERAPEUTICAL AGENT AND RETANOID ALONG WITH A CARRIER SIZED FOR INSERTION INTO EYE TISSUE IN WHICH THE SYSTEMIC RELEASE OF A THERAPEUTICAL AGENT IS DESIRED FOR PROVIDING SUSTAINED OR CONTROLLED RELEASE OF THE DRUG ALLERGAN SALES, INC. (US) 2000-08-29 US claimed