SCHEMBL8401561

SCHEMBL8401561

COc1c(C(C)(C)C)cc(OC(C)=O)cc1C1(C)CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.37
RARG P13631 4/20 0.37
RARA P10276 3/20 0.37
ALOX5 P09917 2/20 0.34
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
TNFRSF1A P19438 2/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33
TUBA1A Q71U36 1/20 0.33
TUBA1C Q9BQE3 1/20 0.33
TUBB6 Q9BUF5 1/20 0.33

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
SCHEMBL8400788 0.87 RARB (0.35) RARBRARGRARATNFRSF1ACA1
SCHEMBL8401630 0.85 GLA (0.39) RARBRARGRARANR1H2NR1H3
SCHEMBL7933771 0.83 RARB (0.39) RARBRARGRARAALOX5NR1H2
SCHEMBL8397557 0.83 VCAM1 (0.46) RARBRARGRARAPTGDRPTGDR2
SCHEMBL8430378 0.82 VCAM1 (0.47) RARBRARGRARAPTGDRPTGDR2
SCHEMBL8400776 0.82 ALOX5 (0.43) RARBRARGRARAALOX5NR1H2
SCHEMBL7940452 0.77 PTGDR (0.41) RARBRARGRARATNFRSF1APTGDR
SCHEMBL8400789 0.76 RARB (0.35) RARBRARGRARATNFRSF1APTGDR
SCHEMBL7942372 0.75 CYP26B1 (0.39) RARBRARGRARAPTGDRPTGDR2
SCHEMBL8401709 0.74 RARA (0.31) RARBRARGRARA

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