SCHEMBL9718757

SCHEMBL9718757

COC(=O)COCCN1CCC(=C2c3ccccc3COc3ccccc32)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.49
SETD7 Q8WTS6 3/20 0.42
GLA P06280 2/20 0.40
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
ATM Q13315 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTAFR P25105 1/20 0.40
TP53 P04637 3/20 0.39
THRB P10828 1/20 0.39
PRMT5 O14744 2/20 0.39
WDR77 Q9BQA1 2/20 0.39
HRH1 P35367 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
SCHEMBL9718799 0.89 KCNH2 (0.52) KCNH2SETD7PTAFRTP53PRMT5
SCHEMBL9718730 0.88 SETD7 (0.51) KCNH2SETD7MAPK1PTAFRPRMT5
Hydrochloric Acid SCHEMBL9718840 0.88 KCNH2 (0.51) KCNH2SETD7PTAFRTP53PRMT5
Hydrochloric Acid SCHEMBL9718776 0.85 KCNH2 (0.49) KCNH2SETD7GLAMAPK1KDM4E
SCHEMBL9850651 0.84 KCNH2 (0.51) KCNH2SETD7GLAKDM4EALDH1A1
SCHEMBL9850495 0.83 KCNH2 (0.52) KCNH2SETD7GLAMAPK1KDM4E
SCHEMBL13888720 0.82 KCNH2 (0.52) KCNH2SETD7GLAMAPK1KDM4E
SCHEMBL9718787 0.81 SETD7 (0.57) KCNH2SETD7KDM4EALDH1A1GAA
SCHEMBL9718791 0.81 KCNH2 (0.56) KCNH2SETD7MAPK1KDM4EALDH1A1
SCHEMBL11601728 0.80 KCNH2 (0.53) KCNH2SETD7GLAPTAFRTP53

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
US-5095022-A Antiallergens HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1992-03-10 US disclosed
EP-0406739-A2 Piperidine derivative, method for preparation thereof, and a pharmaceutical composition comprising the same HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1991-01-09 EP disclosed