SCHEMBL30992190

SCHEMBL30992190

CCOC(CC(C(=O)OC)(c1ccccc1)c1ccc(Cl)cc1)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.46
OPRL1 P41146 1/20 0.46
CCR1 P32246 1/20 0.44
KCNN4 O15554 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
OPRD1 P41143 2/20 0.41
GRIN2D O15399 3/20 0.39
GRIN1 Q05586 3/20 0.39
GRIN2A Q12879 3/20 0.39
GRIN2B Q13224 3/20 0.39
GRIN2C Q14957 3/20 0.39
GRIN3B O60391 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
KIF11 P52732 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL30992206 0.95 GRIN2D (0.43) OPRM1OPRL1CCR1MEN1KMT2A
SCHEMBL30992192 0.92 KCNN4 (0.49) OPRM1OPRL1CCR1KCNN4MEN1
SCHEMBL30992202 0.88 KCNN4 (0.43) OPRM1KCNN4MEN1KMT2AOPRD1
SCHEMBL30992185 0.88 OPRM1 (0.45) OPRM1KCNN4MEN1KMT2AOPRD1
SCHEMBL30992204 0.87 KCNN4 (0.42) OPRM1KCNN4MEN1KMT2AOPRD1
SCHEMBL30992184 0.87 KCNN4 (0.42) OPRM1KCNN4MEN1KMT2AOPRD1
SCHEMBL30992196 0.87 KIF11 (0.44) OPRM1KCNN4MEN1KMT2AOPRD1
SCHEMBL30992183 0.86 OPRM1 (0.39) OPRM1OPRL1CCR1KCNN4MEN1
SCHEMBL30992209 0.85 OPRM1 (0.40) OPRM1OPRL1CCR1KCNN4MEN1
SCHEMBL30992195 0.82 MEN1 (0.37) OPRM1KCNN4MEN1KMT2AOPRD1

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-118373738-A Method for preparing gamma-aldehyde carboxylic ester by carbon dioxide 常州大学 2024-07-23 CN disclosed