SCHEMBL9702281

SCHEMBL9702281

C=CCN(COC)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 1/20 0.35
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
TSHR P16473 1/20 0.33
KCNH2 Q12809 1/20 0.33
RAB9A P51151 1/20 0.33
DPP4 P27487 1/20 0.33
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALOX5 P09917 1/20 0.31

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
SCHEMBL2511849 0.82 ALDH1A1 (0.41) ALDH1A1LMNANPSR1MAPTSMN1; SMN2
SCHEMBL9074280 0.79 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL88005 0.79 ALDH1A1 (0.54) ALDH1A1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL3840012 0.78
SCHEMBL11601068 0.77 ALDH1A1 (0.41) ALDH1A1LMNANPSR1MAPTSMN1; SMN2
SCHEMBL8985064 0.77 ALDH1A1 (0.52) ALDH1A1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL8845450 0.77 ALDH1A1 (0.52) ALDH1A1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL9245352 0.77 ALDH1A1 (0.52) ALDH1A1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL9487258 0.77 ALDH1A1 (0.52) ALDH1A1LMNANPSR1MAPTSMN1; SMN2
SCHEMBL2543501 0.77 ALDH1A1 (0.52) ALDH1A1LMNAMAPTSMN1; SMN2MEN1

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
WO-1992014614-A1 IMAGE-RECORDING SHEET FOR THERMAL-TRANSFER PRINTING USING A POLYMER LATEX CONTAINING SELF-CROSS-LINKING MONOMERS AS THE IMAGE-RECORDING LAYER BASF AKTIENGESELLSCHAFT (DE) 1992-09-03 WO disclosed