SCHEMBL8637636

SCHEMBL8637636

CC(O)(C#Cc1ccc(C(=O)O)c(O)c1)c1cccc2c1C(C)(C)CCC2(C)C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARB P10826 11/20 0.40
RARG P13631 9/20 0.40
RARA P10276 8/20 0.40
RXRA P19793 6/20 0.40
CYP26A1 O43174 1/20 0.40
CYP3A4 P08684 1/20 0.40
CRABP2 P29373 1/20 0.40
HNF4A P41235 2/20 0.34
XDH P47989 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
RXRB P28702 3/20 0.32
RXRG P48443 2/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL6378018 0.81 RARB (0.49) RARBRARGRARARXRACYP26A1
SCHEMBL6340282 0.77 RARB (0.41) RARBRARGRARARXRACYP26A1
SCHEMBL19251649 0.76 RARB (0.53) RARBRARGRARARXRACYP26A1
SCHEMBL19342932 0.75 RARB (0.68) RARBRARGRARARXRACYP26A1
SCHEMBL7713094 0.70 CYP3A4 (0.41) RARBRARGRARARXRACYP26A1
SCHEMBL7751123 0.68 RXRA (0.46) RARBRARGRARARXRACYP26A1
SCHEMBL7714910 0.68 RARB (0.58) RARBRARGRARARXRACYP26A1
SCHEMBL6378170 0.68 RARB (0.52) RARBRARGRARARXRACYP26A1
SCHEMBL7751295 0.68 RARB (0.51) RARBRARGRARARXRACYP26A1
SCHEMBL2912775 0.68 RARB (0.51) 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
EP-0661258-B1 Biaromatic propynyl compounds, pharmaceutical compositions and cosmetics containing them and their uses CIRD GALDERMA (FR) 1998-04-08 EP disclosed