SCHEMBL14257543

SCHEMBL14257543

CC1(C)CCC(C)(C)c2cc(C#CP)ccc21

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.58
RARG P13631 10/20 0.58
RARA P10276 6/20 0.58
CYP26A1 O43174 3/20 0.58
CYP3A4 P08684 2/20 0.58
CRABP2 P29373 1/20 0.58
RXRA P19793 12/20 0.39
RXRB P28702 10/20 0.39
RXRG P48443 6/20 0.39
CYP26B1 Q9NR63 2/20 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
SCHEMBL8901695 0.83 RARB (0.59) RARBRARGRARACYP26A1CYP3A4
SCHEMBL9484589 0.80 RARB (0.65) RARBRARGRARACYP26A1CYP3A4
SCHEMBL10899364 0.79 RARB (0.63) RARBRARGRARACYP26A1CYP3A4
SCHEMBL8522445 0.79 RARB (0.59) RARBRARGRARACYP26A1CYP3A4
SCHEMBL3300659 0.79 RARB (0.55) RARBRARGRARACYP26A1CYP3A4
SCHEMBL9483828 0.79 RARB (0.63) RARBRARGRARACYP26A1CYP3A4
SCHEMBL8361240 0.77 RARB (0.57) RARBRARGRARACYP26A1CYP3A4
SCHEMBL2223445 0.77 RARB (0.53) RARBRARGRARACYP26A1CYP3A4
SCHEMBL3838094 0.77 RARB (0.57) RARBRARGRARACYP26A1CYP3A4
SCHEMBL2223568 0.77 RARB (0.53) RARBRARGRARACYP26A1CYP3A4

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-2008025965-A2 RETINOID COMPOUNDS AND THEIR USE REINNERVATE LIMITED (GB) 2008-03-06 WO disclosed