SCHEMBL28294458

SCHEMBL28294458

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 12/20 0.44
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
GAA P10253 2/20 0.36
XBP1 P17861 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALOX5 P09917 2/20 0.35
PTGS1 P23219 2/20 0.35
PTGS2 P35354 2/20 0.35
HMGCR P04035 1/20 0.34
LMNA P02545 1/20 0.33
RECQL P46063 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
SCHEMBL28220383 0.89 VCAM1 (0.44) VCAM1CA1CA2GAAXBP1
SCHEMBL28296638 0.89 VCAM1 (0.53) VCAM1CA1CA2GAAXBP1
SCHEMBL28342245 0.88 VCAM1 (0.53) VCAM1CA1CA2GAAXBP1
SCHEMBL8382937 0.82 VCAM1 (0.46) VCAM1CA1CA2GAAXBP1
SCHEMBL38445 0.79 VCAM1 (0.60) VCAM1CA1CA2GAAALOX5
SCHEMBL1577556 0.78 VCAM1 (0.61) VCAM1CA1CA2GAAALOX5
SCHEMBL28126151 0.78 VCAM1 (0.51) VCAM1CA1CA2GAAXBP1
SCHEMBL15681347 0.78 VCAM1 (0.48) VCAM1CA1CA2GAAXBP1
SCHEMBL28853602 0.76 VCAM1 (0.54) VCAM1CA1CA2GAAXBP1
SCHEMBL28407485 0.76 VCAM1 (0.53) VCAM1CA1CA2GAAHMGCR

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
CN-109762490-A A kind of heat-insulated PVB film and preparation method thereof 长春工业大学 2019-05-17 CN claimed
CN-109762490-A A kind of heat-insulated PVB film and preparation method thereof 长春工业大学 2019-05-17 CN disclosed