SCHEMBL10816620

SCHEMBL10816620

NCOC(=O)CC1(CC(=O)OCN)CCCCC1(CC(=O)O)CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
TSHR P16473 1/20 0.44
BLM P54132 1/20 0.44
CACNA2D1 P54289 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP2C19 P33261 1/20 0.38
HSD11B1 P28845 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
SCHEMBL6158201 0.79 CYP2C19 (0.54) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL3345554 0.77 CYP2C19 (0.58) USP2ALDH1A1LMNACYP1A2TSHR
Cyclohexane SCHEMBL9536108 0.77 CYP2C19 (0.58) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL31215163 0.68 CYP2C19 (0.43) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL5440080 0.64 CYP1A2 (0.46) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL5440085 0.64 CYP1A2 (0.46) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL5445435 0.64 CYP1A2 (0.46) USP2ALDH1A1LMNACYP1A2TSHR
Gababutin SCHEMBL25615 0.63 ALDH1A1 (0.95) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL5497063 0.63 USP2 (0.44) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL7848701 0.63 ALDH1A1 (0.48) USP2ALDH1A1LMNACYP1A2TSHR

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-0213484-A1 Alpha-Hydroxy-beta-2,2,6,6-tetramethyl piperidyl ethylene oxiranes as light and heat stabilizers for polyvinyl chloride resins ADEKA ARGUS CHEMICAL CO., Ltd. (JP) 1987-03-11 EP disclosed