SCHEMBL8401653

SCHEMBL8401653

CC(=O)Oc1ccc(O)c(C2(C)CCCCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.51
RARG P13631 3/20 0.51
RARA P10276 2/20 0.49
NR1H2 P55055 2/20 0.44
NR1H3 Q13133 2/20 0.44
PTPN1 P18031 2/20 0.43
CYP3A4 P08684 1/20 0.42
ACHE P22303 1/20 0.42
CA2 P00918 1/20 0.42
CA5A P35218 1/20 0.42
PTPN11 Q06124 1/20 0.41
ESR1 P03372 1/20 0.41
PGR P06401 1/20 0.41
CHRM2 P08172 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
AR P10275 1/20 0.41
CHRM1 P11229 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KDM4E B2RXH2 2/20 0.40

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
SCHEMBL8401580 0.84 RARA (0.56) RARBRARGRARANR1H2NR1H3
SCHEMBL8401696 0.84 RARB (0.48) RARBRARGRARAPTPN1ACHE
SCHEMBL252281 0.81 RARB (0.49) RARBRARGRARACYP3A4KDM4E
SCHEMBL8400865 0.80 RARB (0.44) RARBRARGRARAPTPN11PTGDR
SCHEMBL8397200 0.79 TSHR (0.44) RARBRARGRARANR1H2NR1H3
SCHEMBL8400747 0.78 GLA (0.46) RARBRARGRARANR1H2NR1H3
SCHEMBL14357615 0.78 ESR1 (0.49) CYP3A4ACHEESR1PGRCHRM2
SCHEMBL8401630 0.76 GLA (0.39) RARBRARGRARANR1H2NR1H3
SCHEMBL12418593 0.76 RXRA (0.58) RARBRARGRARANR1H2NR1H3
SCHEMBL7933771 0.74 RARB (0.39) RARBRARGRARANR1H2NR1H3

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-5914361-A IMPART HEAT STABILITY TO ORGANIC MATERIALS, INCLUDING POLYOLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-06-22 US disclosed