SCHEMBL30992195

SCHEMBL30992195

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
MAPT P10636 2/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
TP53 P04637 2/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
KCNN4 O15554 1/20 0.33
DHODH Q02127 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL30992185 0.95 OPRM1 (0.45) MEN1KMT2AOPRM1OPRD1MAPT
SCHEMBL30992206 0.87 GRIN2D (0.43) MEN1KMT2AOPRM1NPSR1TDP1
SCHEMBL30992192 0.87 KCNN4 (0.49) MEN1KMT2AOPRM1OPRD1MAPT
SCHEMBL30992202 0.83 KCNN4 (0.43) MEN1KMT2AOPRM1OPRD1MAPT
SCHEMBL30992193 0.83 OPRM1 (0.45) MEN1KMT2AOPRM1OPRD1TP53
SCHEMBL30992190 0.82 OPRM1 (0.46) MEN1KMT2AOPRM1OPRD1MAPT
SCHEMBL30992184 0.82 KCNN4 (0.42) MEN1KMT2AOPRM1OPRD1MAPT
SCHEMBL30992204 0.82 KCNN4 (0.42) MEN1KMT2AOPRM1OPRD1MAPT
SCHEMBL30992196 0.82 KIF11 (0.44) MEN1KMT2AOPRM1OPRD1RAB9A
SCHEMBL30992186 0.79 KDM4E (0.44) MEN1KMT2ARAB9ANPC1TDP1

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