SCHEMBL27190022

SCHEMBL27190022

O=C(C=CCC(=O)OC1CCCCC1)OC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.45
NAAA Q02083 2/20 0.44
HTT P42858 2/20 0.42
CYP19A1 P11511 2/20 0.41
EPHX1 P07099 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 4/20 0.33
HPGD P15428 3/20 0.33
HSD17B10 Q99714 2/20 0.33
LMNA P02545 2/20 0.32
RAB9A P51151 1/20 0.32
MIF P14174 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
MMP1 P03956 1/20 0.30
MMP9 P14780 1/20 0.30

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
SCHEMBL13405845 0.88 EPHX1 (0.44) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL6650101 0.87 CYP2C19 (0.52) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL6711347 0.87 CYP2C19 (0.52) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL31023248 0.86 EPHX1 (0.40) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL5083178 0.84 NAAA (0.53) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL4202317 0.84 NAAA (0.53) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL31023332 0.84 ALDH1A1 (0.39) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL7539573 0.80 EPHX1 (0.48) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL8101682 0.80 EPHX1 (0.48) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL17073960 0.80 EPHX1 (0.48) CYP2C19NAAAHTTCYP19A1EPHX1

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
EP-4349881-A1 POLYESTER MATERIAL AND POLYESTER PRODUCT, AND PREPARATION METHODS THEREFOR AND USE THEREOF Ningbo Institute of Materials Technology & Engineering, Chinese Academy of Sciences (CN) 2024-04-10 EP disclosed