SCHEMBL29019882

SCHEMBL29019882

CCOC(=O)CCCCC(C)(C)OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
GAA P10253 2/20 0.44
ALDH1A1 P00352 3/20 0.42
ALOX15 P16050 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
DGKA P23743 1/20 0.41
NR1I2 O75469 1/20 0.41
PGR P06401 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
PTGS2 P35354 1/20 0.41
PDE4D Q08499 1/20 0.41
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
KMT2A Q03164 2/20 0.39

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
SCHEMBL28383462 0.94 CYP1A2 (0.52) CYP1A2GAAALDH1A1ALOX15TDP1
SCHEMBL9563856 0.86 CYP1A2 (0.45) CYP1A2GAAALDH1A1ALOX15TDP1
SCHEMBL28334046 0.85 CYP1A2 (0.50) CYP1A2GAAALDH1A1ALOX15TDP1
SCHEMBL1908800 0.82 CYP1A2 (0.55) CYP1A2GAAALDH1A1ALOX15TDP1
SCHEMBL15183506 0.81 CYP1A2 (0.53) CYP1A2GAAALDH1A1ALOX15TDP1
SCHEMBL15183507 0.81 CYP1A2 (0.53) CYP1A2GAAALDH1A1ALOX15TDP1
SCHEMBL10250453 0.81 CYP1A2 (0.53) CYP1A2GAAALDH1A1ALOX15TDP1
SCHEMBL12933282 0.81 CYP1A2 (0.53) CYP1A2GAAALDH1A1ALOX15TDP1
SCHEMBL15183505 0.81 CYP1A2 (0.53) CYP1A2GAAALDH1A1ALOX15TDP1
SCHEMBL28616620 0.81 DGKA (0.48) CYP1A2ALDH1A1TDP1CYP3A4TSHR

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
CN-113795521-B Colored curable resin composition 住友化学株式会社 2023-05-12 CN disclosed