SCHEMBL8400764

SCHEMBL8400764

CCC(=O)Oc1cc(CC)c(OC)c(C2(C)CCCCC2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.37
RARG P13631 3/20 0.37
RARA P10276 2/20 0.37
PTPN1 P18031 2/20 0.35
PTGDR Q13258 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
ACHE P22303 2/20 0.34
ALOX5 P09917 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
ESR1 P03372 2/20 0.33
HIF1A Q16665 2/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
GLA P06280 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
SCHEMBL8400776 0.90 ALOX5 (0.43) RARBRARGRARAPTGDRPTGDR2
SCHEMBL8401581 0.88 ACHE (0.39) RARBRARGRARAPTPN1PTGDR
SCHEMBL8400744 0.87 RARA (0.34) RARBRARGRARAPTGDRPTGDR2
SCHEMBL8431586 0.86 OPRM1 (0.35) RARBRARGRARAPTGDRPTGDR2
SCHEMBL8400759 0.85 GLA (0.44) RARBRARGRARAPTPN1PTGDR
SCHEMBL8400788 0.84 RARB (0.35) RARBRARGRARAPTGDRPTGDR2
SCHEMBL8397572 0.79 RARA (0.53) RARBRARGRARAPTPN1PTGDR
SCHEMBL7786557 0.78 RARB (0.47) RARBRARGRARAPTGDRPTGDR2
SCHEMBL8399068 0.77 TSHR (0.41) RARBRARGRARAPTPN1PTGDR
SCHEMBL8401696 0.76 RARB (0.48) RARBRARGRARAPTPN1PTGDR

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