SCHEMBL8457553

SCHEMBL8457553

CC1(C)CCC(C)(C)c2cc(C(O)c3ccc4cc([C]=O)ccc4c3)ccc21

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARB P10826 12/20 0.65
RARG P13631 12/20 0.65
RARA P10276 11/20 0.65
RXRA P19793 3/20 0.56
CYP26A1 O43174 7/20 0.46
CYP26B1 Q9NR63 5/20 0.46
CYP3A4 P08684 4/20 0.46
RXRB P28702 2/20 0.44
CRABP2 P29373 1/20 0.42
PPARG P37231 1/20 0.38
RXRG P48443 1/20 0.37

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
SCHEMBL8461689 0.83 RARA (0.55) RARBRARGRARARXRACYP26A1
SCHEMBL9746853 0.79 RARB (0.65) RARBRARGRARARXRACYP26A1
SCHEMBL6372648 0.79 RARB (1.00) RARBRARGRARARXRACYP26A1
SCHEMBL10544159 0.78 RARB (0.79) RARBRARGRARARXRACYP26A1
SCHEMBL3838094 0.78 RARB (0.57) RARBRARGRARARXRACYP26A1
SCHEMBL9746456 0.77 RARA (0.63) RARBRARGRARARXRACYP26A1
SCHEMBL9822510 0.76 RARB (0.61) RARBRARGRARARXRACYP26A1
SCHEMBL9747949 0.73 RARB (0.71) RARBRARGRARARXRACYP26A1
SCHEMBL8458824 0.72 RXRA (1.00) RARBRARGRARARXRACYP26A1
SCHEMBL9822546 0.71 RXRA (0.64) RARBRARGRARARXRACYP26A1

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
WO-1999048529-A1 RETINOID-GLITAZONE COMBINATIONS WARNER-LAMBERT COMPANY (US) 1999-09-30 WO disclosed