SCHEMBL27557342

SCHEMBL27557342

CC(=O)OC(=O)c1ccc2c(c1)C(C)(C)CCS2

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RARB P10826 15/20 0.61
RARA P10276 14/20 0.61
RARG P13631 13/20 0.61
RXRA P19793 5/20 0.55
CYP3A4 P08684 2/20 0.48
KMT2A Q03164 1/20 0.48
CYP26A1 O43174 1/20 0.47
SSTR5 P35346 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RXRB P28702 2/20 0.38
RXRG P48443 1/20 0.37
LMNA P02545 1/20 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
SCHEMBL3456673 0.84 RARB (0.64) RARBRARARARGRXRACYP3A4
SCHEMBL8101908 0.81 RARB (0.72) RARBRARARARGRXRACYP3A4
SCHEMBL10284325 0.80 RARB (0.60) RARBRARARARGRXRACYP3A4
SCHEMBL9186793 0.80 RARB (0.63) RARBRARARARGRXRACYP3A4
SCHEMBL7414449 0.79 RARB (0.71) RARBRARARARGRXRACYP3A4
SCHEMBL7567287 0.77 RARB (0.69) RARBRARARARGRXRACYP3A4
SCHEMBL8331112 0.77 RARB (0.69) RARBRARARARGRXRACYP3A4
SCHEMBL9187677 0.77 RARA (0.64) RARBRARARARGRXRACYP3A4
SCHEMBL10565430 0.77 RARB (0.70) RARBRARARARGRXRACYP3A4
SCHEMBL8907166 0.77 RARB (0.56) RARBRARARARGRXRACYP3A4

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
CN-1285830-A Pyridylpyrrole derivatives SANKYO CO (JP) 2001-02-28 CN disclosed