SCHEMBL28769986

SCHEMBL28769986

C=CN(CCC)C(=O)OCC

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
LMNA P02545 2/20 0.34
HSD17B10 Q99714 1/20 0.34
TSHR P16473 3/20 0.34
HPGD P15428 2/20 0.34
ALOX15 P16050 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
SOAT1 P35610 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
GLO1 Q04760 1/20 0.31
TRPA1 O75762 1/20 0.31
CA12 O43570 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL11492347 0.85 TSHR (0.41) TSHRHPGD
SCHEMBL8087451 0.85 TSHR (0.41) TSHRHPGD
SCHEMBL28203297 0.83 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10TSHRHPGD
SCHEMBL13675192 0.82 FAAH (0.32) ALDH1A1TSHRHPGDCA12CA2
SCHEMBL27972947 0.80 TSHR (0.32) TSHRHPGDCA12CA2CA9
SCHEMBL1358419 0.77 ALDH1A1 (0.37) ALDH1A1TSHRHPGDCA12CA2
SCHEMBL20496122 0.76 TSHR (0.43) ALDH1A1LMNAHSD17B10TSHRHPGD
SCHEMBL2448463 0.75 ALDH1A1 (0.36) ALDH1A1TSHRHPGDCA12CA2
SCHEMBL11702565 0.74
SCHEMBL8927958 0.74 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10TSHRHPGD

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-101223251-A Aqueous delivery system for low surface energy structures GORE ENTERPRISE HOLDINGS INC (US) 2008-07-16 CN disclosed