SCHEMBL28405609

SCHEMBL28405609

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
OPRM1 P35372 5/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
SLC22A1 O15245 2/20 0.33
OPRD1 P41143 3/20 0.32
OPRK1 P41145 3/20 0.32
SLC6A4 P31645 1/20 0.32
ADRA1A P35348 1/20 0.32
KCNH2 Q12809 1/20 0.32
POLB P06746 2/20 0.32
GAA P10253 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
F10 P00742 2/20 0.31
BRD4 O60885 1/20 0.31
ADAM17 P78536 1/20 0.30
PPM1B O75688 1/20 0.30
PTPN1 P18031 1/20 0.30

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
SCHEMBL7025871 0.83
SCHEMBL10476965 0.82 MEN1 (0.33) MEN1KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL28404458 0.80 ADAM17 (0.34) MEN1KMT2AKDM4EOPRM1SMN1; SMN2
SCHEMBL1989180 0.78 MEN1 (0.36) MEN1KMT2A
SCHEMBL1285662 0.78 MEN1 (0.36) MEN1KMT2A
SCHEMBL1926380 0.78 MEN1 (0.36) MEN1KMT2A
SCHEMBL10740811 0.78 MEN1 (0.36) MEN1KMT2A
SCHEMBL15337096 0.76 F10 (0.37) OPRM1SMN1; SMN2SLC22A1OPRD1OPRK1
SCHEMBL9255776 0.76 F10 (0.37) OPRM1SMN1; SMN2SLC22A1OPRD1OPRK1
SCHEMBL7759124 0.72 TSHR (0.38) KDM4ESMN1; SMN2POLBGAAALDH1A1

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