SCHEMBL28853602

SCHEMBL28853602

CCCCC(=O)Oc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 10/20 0.54
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
GAA P10253 2/20 0.45
XBP1 P17861 1/20 0.45
ATM Q13315 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.43
RECQL P46063 1/20 0.43
NR5A2 O00482 1/20 0.42
NR5A1 Q13285 1/20 0.42
ALOX5 P09917 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41

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
SCHEMBL5027033 0.95 VCAM1 (0.55) VCAM1CA1CA2GAAXBP1
SCHEMBL27747905 0.94 VCAM1 (0.56) VCAM1CA1CA2GAAXBP1
SCHEMBL11347714 0.94 VCAM1 (0.56) VCAM1CA1CA2GAAXBP1
SCHEMBL39477 0.94 VCAM1 (0.56) VCAM1CA1CA2GAAXBP1
SCHEMBL7155322 0.94 VCAM1 (0.56) VCAM1CA1CA2GAAXBP1
SCHEMBL27769201 0.94 VCAM1 (0.56) VCAM1CA1CA2GAAXBP1
SCHEMBL27769174 0.94 VCAM1 (0.56) VCAM1CA1CA2GAAXBP1
SCHEMBL38445 0.92 VCAM1 (0.60) VCAM1CA1CA2GAALMNA
SCHEMBL1577556 0.90 VCAM1 (0.61) VCAM1CA1CA2GAALMNA
SCHEMBL27695001 0.90 VCAM1 (0.52) VCAM1CA1CA2GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115991861-B Damping fatigue aging resistant carbon dioxide-based polyurethane elastomer and preparation method thereof 河北铁科翼辰新材科技有限公司 2023-06-16 CN claimed
CN-115160649-A Low-volatility oxidation inhibition composition and preparation method thereof 武汉三友石化有限公司 2022-10-11 CN claimed
CN-114540108-B Lubricating oil composition and preparation method and application thereof 江西苏克尔新材料有限公司 2022-11-18 CN disclosed
CN-115160649-A Low-volatility oxidation inhibition composition and preparation method thereof 武汉三友石化有限公司 2022-10-11 CN disclosed
CN-114573526-A (3, 5-dialkyl-4-hydroxyphenyl) carboxylic acid epoxy alkyl ester compound and preparation method and application thereof 江西苏克尔新材料有限公司 2022-06-03 CN disclosed
CN-114540108-A Lubricating oil composition and preparation method and application thereof 江西苏克尔新材料有限公司 2022-05-27 CN disclosed