SCHEMBL28404458

SCHEMBL28404458

CCOC(=O)C1(CC)CC=CCC1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
SLC22A1 O15245 2/20 0.32
OPRM1 P35372 5/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
OPRD1 P41143 3/20 0.31
OPRK1 P41145 3/20 0.31
SLC6A4 P31645 1/20 0.31
ADRA1A P35348 1/20 0.31
KCNH2 Q12809 1/20 0.31
POLB P06746 2/20 0.31
GAA P10253 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL19412129 0.88
SCHEMBL28405609 0.80 MEN1 (0.33) ADAM17MEN1KMT2AKDM4ESLC22A1
SCHEMBL5645520 0.73 POLB (0.33) POLB
SCHEMBL8089751 0.71 KMT2A (0.34) MEN1KMT2AKDM4ESMN1; SMN2GAA
SCHEMBL5645761 0.71 POLB (0.37) POLB
SCHEMBL5647710 0.69 POLB (0.38) MEN1KMT2APOLBALDH1A1TDP1
SCHEMBL5648035 0.69 POLB (0.38) MEN1KMT2APOLBALDH1A1TDP1
SCHEMBL5648048 0.69 POLB (0.38) MEN1KMT2APOLBALDH1A1TDP1
SCHEMBL5645652 0.69 POLB (0.38) MEN1KMT2APOLBALDH1A1TDP1
SCHEMBL5645721 0.69 POLB (0.38) MEN1KMT2APOLBALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111171195-B Propylene polymerization solid catalyst for reducing VOC and method for producing polypropylene using the same 韩华道达尔能源有限公司 2022-12-27 CN disclosed
CN-111171195-A Propylene polymerization solid catalyst for reducing VOC and method for producing polypropylene using the same 韩华道达尔有限公司 2020-05-19 CN disclosed