SCHEMBL7940452

SCHEMBL7940452

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
NR1H4 Q96RI1 3/20 0.38
RARB P10826 3/20 0.36
RARG P13631 3/20 0.36
RARA P10276 2/20 0.36
THRB P10828 3/20 0.34
THRA P10827 2/20 0.34
RXRA P19793 2/20 0.33
RXRB P28702 2/20 0.33
RXRG P48443 2/20 0.33
CYP26A1 O43174 1/20 0.33
TNFRSF1A P19438 1/20 0.33
GAA P10253 2/20 0.33
PTGS1 P23219 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 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
SCHEMBL7942372 0.88 CYP26B1 (0.39) PTGDRPTGDR2RARBRARGRARA
SCHEMBL8397560 0.84 KMT2A (0.39) PTGDRPTGDR2RARBRARGRARA
SCHEMBL7794792 0.84 PTGDR (0.41) PTGDRPTGDR2RARBRARGRARA
SCHEMBL7794887 0.84 PTGDR (0.43) PTGDRPTGDR2RARBRARGRARA
SCHEMBL7940198 0.82 RARA (0.33) PTGDRPTGDR2RARBRARGRARA
SCHEMBL7792167 0.82 PTGDR (0.43) PTGDRPTGDR2RARBRARGRARA
SCHEMBL6567008 0.81 TNKS2 (0.36) RARBRARGRARA
SCHEMBL7792677 0.80 NR1H4 (0.49) PTGDR2NR1H4THRBTHRARXRA
SCHEMBL7933946 0.78 ALDH1A1 (0.36) RARBRARGRARAGAAALDH1A1
SCHEMBL7940461 0.78 RARG (0.34) PTGDRPTGDR2RARBRARGRARA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6242514-B1 CYCLIC PHOSPHATE OR PHOSPHONATE; HEAT AND OXIDATION STABILIZER ESPECIALLY FOR OLEFIN POLYMERS AND ENGINEERING THERMOPLASTICS SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2001-06-05 US disclosed
US-5914361-A IMPART HEAT STABILITY TO ORGANIC MATERIALS, INCLUDING POLYOLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-06-22 US disclosed