SCHEMBL9419409

SCHEMBL9419409

CCOC(=O)[C](CC)C(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.52
ALDH1A1 P00352 6/20 0.50
LMNA P02545 1/20 0.48
HSD17B10 Q99714 1/20 0.48
NPSR1 Q6W5P4 1/20 0.46
GLO1 Q04760 1/20 0.46
ALOX15 P16050 1/20 0.46
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
TSHR P16473 1/20 0.44
EGLN1 Q9GZT9 1/20 0.43
TRPA1 O75762 1/20 0.42
MAPT P10636 3/20 0.41
CYP2D6 P10635 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP2C9 P11712 1/20 0.38

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
SCHEMBL7262 0.81 ALDH1A1 (0.62) SOAT1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL1331989 0.81 ALDH1A1 (0.62) SOAT1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL9823358 0.81 ALDH1A1 (0.62) SOAT1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL15413045 0.79 SOAT1 (0.55) SOAT1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL9825186 0.78 ALDH1A1 (0.46) SOAT1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL9751764 0.78 ALDH1A1 (0.59) SOAT1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL30076441 0.78 ALDH1A1 (0.59) SOAT1ALDH1A1LMNAHSD17B10NPSR1
Ammonia Solution, Strong SCHEMBL12803984 0.78 ALDH1A1 (0.59) SOAT1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL28824460 0.78 ALDH1A1 (0.59) SOAT1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL28251428 0.78 ALDH1A1 (0.59) SOAT1ALDH1A1LMNAHSD17B10NPSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0576450-A1 METHYLENE CYCLOBUTANE DERIVATES MERCK PATENT GmbH (DE) 1994-01-05 EP disclosed
WO-1992016483-A1 METHYLENE CYCLOBUTANE DERIVATES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1992-10-01 WO disclosed
EP-0137883-A1 End-capping catalyst for forming alcoxy-functional one component RTV compositions GENERAL ELECTRIC COMPANY (US) 1985-04-24 EP disclosed