SCHEMBL28804241

SCHEMBL28804241

CCCCCCCCC(CCCC)(CCCCCC)C(=O)OCOCC1CO1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
TDP1 Q9NUW8 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.44
ENPP2 Q13822 3/20 0.36
LPAR2 Q9HBW0 2/20 0.36
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL28804170 0.90 SMN1; SMN2 (0.45) ALDH1A1TDP1SMN1; SMN2ENPP2LPAR2
SCHEMBL28804265 0.88 ALDH1A1 (0.40) ALDH1A1TDP1SMN1; SMN2
SCHEMBL5076240 0.87 ALDH1A1 (0.47) ALDH1A1TDP1SMN1; SMN2ENPP2LPAR2
SCHEMBL28804165 0.76 SMN1; SMN2 (0.39) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1
SCHEMBL21769282 0.76 ALDH1A1 (0.45) ALDH1A1TDP1SMN1; SMN2ENPP2LPAR2
SCHEMBL284419 0.74 CYP4F2 (0.47) ALDH1A1TDP1SMN1; SMN2ENPP2LPAR2
SCHEMBL28804315 0.74 ALDH1A1 (0.50) ALDH1A1TDP1SMN1; SMN2ENPP2LPAR2
SCHEMBL27961199 0.73 ALDH1A1 (0.45) ALDH1A1TDP1SMN1; SMN2ENPP2LPAR2
SCHEMBL28804166 0.73 TSHR (0.46) TSHRCYP4F2CYP4A11MEN1MAPT
SCHEMBL28311623 0.73 ALDH1A1 (0.61) ALDH1A1TDP1SMN1; SMN2ENPP2LPAR2

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-108349919-B Polyfunctional epoxy compound and curable composition containing the same 日产化学工业株式会社 2022-06-03 CN disclosed