SCHEMBL7942372

SCHEMBL7942372

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP26B1 Q9NR63 4/20 0.39
CYP26A1 O43174 3/20 0.39
PTGDR Q13258 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
RARB P10826 3/20 0.37
RARG P13631 3/20 0.37
RARA P10276 2/20 0.37
THRA P10827 2/20 0.37
THRB P10828 2/20 0.37
FFAR1 O14842 1/20 0.35
GAA P10253 2/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
CYP3A4 P08684 1/20 0.33
ALDH1A1 P00352 1/20 0.33
VCAM1 P19320 1/20 0.33
KMT2A Q03164 1/20 0.33
KCNH2 Q12809 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
SCHEMBL7940452 0.88 PTGDR (0.41) CYP26A1PTGDRPTGDR2RARBRARG
SCHEMBL7940198 0.85 RARA (0.33) PTGDRPTGDR2RARBRARGRARA
SCHEMBL7933946 0.85 ALDH1A1 (0.36) RARBRARGRARAGAAALDH1A1
SCHEMBL7792145 0.84 GAA (0.45) CYP26B1CYP26A1PTGDRPTGDR2RARB
SCHEMBL7794944 0.84 THRA (0.41) CYP26B1CYP26A1PTGDRPTGDR2RARB
SCHEMBL7796429 0.83 CYP26B1 (0.41) CYP26B1CYP26A1PTGDRPTGDR2RARB
SCHEMBL6567008 0.83 TNKS2 (0.36) RARBRARGRARA
SCHEMBL7796603 0.81 GAA (0.45) THRATHRBFFAR1GAARXRA
SCHEMBL8397560 0.78 KMT2A (0.39) PTGDRPTGDR2RARBRARGRARA
SCHEMBL7794935 0.76 THRA (0.46) PTGDR2THRATHRBFFAR1GAA

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