SCHEMBL28048119

SCHEMBL28048119

Cc1ccc(C2([C]3CCCCC3)CCCCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.51
HSD11B2 P80365 5/20 0.51
ESR1 P03372 4/20 0.45
ESR2 Q92731 4/20 0.45
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
OPRM1 P35372 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38
ACHE P22303 1/20 0.37
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL18403094 0.85 ESR1 (0.60) HSD11B1HSD11B2ESR1ESR2ALDH1A1
SCHEMBL20080439 0.78 ESR1 (0.52) HSD11B1HSD11B2ESR1ESR2ALDH1A1
SCHEMBL12893281 0.76 ESR1 (0.80) HSD11B1HSD11B2ESR1ESR2ALDH1A1
SCHEMBL822829 0.76 ESR1 (0.80) HSD11B1HSD11B2ESR1ESR2ALDH1A1
SCHEMBL9973089 0.76 ALDH1A1 (0.80) HSD11B1HSD11B2ESR1ESR2ALDH1A1
SCHEMBL24499340 0.76 ESR1 (0.50) HSD11B1HSD11B2ESR1ESR2ALDH1A1
SCHEMBL5452904 0.74 ESR1 (0.48) HSD11B1HSD11B2ESR1ESR2ALDH1A1
SCHEMBL21168792 0.74 ESR1 (0.48) HSD11B1HSD11B2ESR1ESR2ALDH1A1
SCHEMBL2046010 0.74 MAPT (0.51) HSD11B1HSD11B2ESR1ESR2ALDH1A1
SCHEMBL2534363 0.74 ESR1 (0.48) HSD11B1HSD11B2ESR1ESR2ALDH1A1

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-105238416-A Production method of high-purity electronic materials YANTAI XIANHUA CHEM TECH CO LTD 2016-01-13 CN disclosed