SCHEMBL21163289

SCHEMBL21163289

C1CCC(NC2CCCOCC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
HSD17B10 Q99714 1/20 0.60
MAPT P10636 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
ADH1B P00325 2/20 0.37
ADH1C P00326 2/20 0.37
ADH1A P07327 2/20 0.37
ADH4 P08319 1/20 0.37
MAOA P21397 3/20 0.34
KDM1A O60341 2/20 0.34
MAOB P27338 1/20 0.34
KMT2A Q03164 1/20 0.34
ADH7 P40394 1/20 0.33
MAPK1 P28482 1/20 0.33
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
ADRA1A P35348 1/20 0.32

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
SCHEMBL1001637 0.95 ALDH1A1 (0.67) ALDH1A1HSD17B10MAPTNPSR1KDM4E
SCHEMBL999449 0.92 ALDH1A1 (0.61) ALDH1A1HSD17B10MAPTNPSR1KDM4E
SCHEMBL16114276 0.87 ALDH1A1 (0.53) ALDH1A1HSD17B10MAPTNPSR1KDM4E
SCHEMBL26268695 0.86 ALDH1A1 (0.42) ALDH1A1HSD17B10MAOAKDM1AMAOB
Oxirane SCHEMBL8981894 0.84 ALDH1A1 (0.75) ALDH1A1HSD17B10MAPTNPSR1KDM4E
SCHEMBL21422778 0.84 ALDH1A1 (0.44) ALDH1A1HSD17B10MAOAKDM1AMAOB
SCHEMBL26269820 0.83 ALDH1A1 (0.57) ALDH1A1HSD17B10MAPTNPSR1KDM4E
SCHEMBL998688 0.83 ALDH1A1 (0.57) ALDH1A1HSD17B10MAPTNPSR1KDM4E
SCHEMBL998687 0.83 ALDH1A1 (0.57) ALDH1A1HSD17B10MAPTNPSR1KDM4E
SCHEMBL26248383 0.83 ALDH1A1 (0.57) ALDH1A1HSD17B10MAPTNPSR1KDM4E

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
EP-4245756-A1 IKAROS ZINC FINGER FAMILY DEGRADERS AND USES THEREOF Gilead Sciences, Inc. (US) 2023-09-20 EP disclosed
WO-2019136244-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF ABNORMAL CELLULAR PROLIFERATION G1 THERAPEUTICS, INC. (US) 2019-07-11 WO disclosed