SCHEMBL27848880

SCHEMBL27848880

CCCOC1(NC(=O)c2ccccc2)CCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.59
ALDH1A1 P00352 3/20 0.45
CTSL P07711 2/20 0.44
LMNA P02545 2/20 0.44
FAAH O00519 2/20 0.43
CTSK P43235 1/20 0.43
GAA P10253 1/20 0.43
ADRB2 P07550 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
APAF1 O14727 1/20 0.41
TDP2 O95551 1/20 0.41
NSD2 O96028 1/20 0.41
ABL1 P00519 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
CASP3 P42574 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL11608129 0.82 HSD17B10 (0.59) HSD17B10ALDH1A1CTSLLMNAFAAH
SCHEMBL27797797 0.81 CTSL (0.42) HSD17B10ALDH1A1CTSLLMNAFAAH
SCHEMBL3645705 0.78 ALDH1A1 (0.44) HSD17B10ALDH1A1CTSLLMNAFAAH
SCHEMBL10604253 0.75 ADRB2 (0.55) HSD17B10ALDH1A1CTSLLMNAFAAH
SCHEMBL10607221 0.74 ADRB2 (0.57) HSD17B10ALDH1A1CTSLLMNAFAAH
SCHEMBL5585773 0.74 CTSK (0.48) HSD17B10ALDH1A1CTSLLMNAFAAH
SCHEMBL11609600 0.73 ALDH1A1 (0.54) HSD17B10ALDH1A1CTSLFAAHCTSK
SCHEMBL10604425 0.72 ADRB2 (0.52) HSD17B10CTSLLMNAFAAHCTSK
SCHEMBL1976429 0.72 ALDH1A1 (0.47) HSD17B10ALDH1A1CTSLLMNAFAAH
SCHEMBL10604536 0.72 CTSL (0.49) HSD17B10ALDH1A1CTSLLMNAFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102344457-B Spirocyclic aminoquinolones as GSK-3 inhibitors KYORIN SEIYAKU KK 2015-07-22 CN disclosed
CN-102344457-A Spirocyclic aminoquinolones as gsk-3 inhibitors KYORIN SEIYAKU KK 2012-02-08 CN disclosed
CN-101855229-A Spirocyclic aminoquinolones as GSK-3 inhibitors ACTIVX BIOSCIENCES INC 2010-10-06 CN disclosed