SCHEMBL30992196

SCHEMBL30992196

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 8/20 0.44
KCNN4 O15554 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
OPRM1 P35372 2/20 0.41
OPRD1 P41143 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
ALOX15 P16050 1/20 0.39
APEX1 P27695 1/20 0.39
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CNR2 P34972 1/20 0.39
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
DRD2 P14416 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
SCHEMBL30992192 0.92 KCNN4 (0.49) KCNN4MEN1KMT2AOPRM1OPRD1
SCHEMBL30992202 0.88 KCNN4 (0.43) KIF11KCNN4MEN1KMT2AOPRM1
SCHEMBL30992185 0.88 OPRM1 (0.45) KIF11KCNN4MEN1KMT2AOPRM1
SCHEMBL30992186 0.88 KDM4E (0.44) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL30992184 0.87 KCNN4 (0.42) KIF11KCNN4MEN1KMT2AOPRM1
SCHEMBL30992204 0.87 KCNN4 (0.42) KIF11KCNN4MEN1KMT2AOPRM1
SCHEMBL30992190 0.87 OPRM1 (0.46) KIF11KCNN4MEN1KMT2AOPRM1
SCHEMBL30992193 0.82 OPRM1 (0.45) KIF11KCNN4MEN1KMT2AOPRM1
SCHEMBL30992195 0.82 MEN1 (0.37) KCNN4MEN1KMT2AOPRM1OPRD1
SCHEMBL30992206 0.81 GRIN2D (0.43) MEN1KMT2AOPRM1ALDH1A1TDP1

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