SCHEMBL22077876

SCHEMBL22077876

CN(C(=O)OC(C)(C)C)C1CCCCC(C=O)C1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.40
BTK Q06187 1/20 0.33
ADH1C P00326 2/20 0.33
ADH1A P07327 2/20 0.33
ASGR1 P07306 1/20 0.32
KAT8 Q9H7Z6 1/20 0.31
RAB9A P51151 1/20 0.30
KDM4D Q6B0I6 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
SCHEMBL4938252 0.98 HSD11B1 (0.41) HSD11B1BTKADH1CADH1AASGR1
SCHEMBL24622292 0.86 HSD11B1 (0.41) HSD11B1ASGR1KDM4D
SCHEMBL13943891 0.82 HSD11B1 (0.45) HSD11B1BTKASGR1RAB9AKDM4D
SCHEMBL4803692 0.81 HSD11B1 (0.40) HSD11B1ASGR1KAT8KDM4D
SCHEMBL4804112 0.81 HSD11B1 (0.40) HSD11B1ASGR1KAT8KDM4D
Formic Acid SCHEMBL27813341 0.81 HSD11B1 (0.42) HSD11B1BTKADH1CADH1AASGR1
SCHEMBL4552317 0.81 HSD11B1 (0.44) HSD11B1BTKADH1CADH1AASGR1
SCHEMBL228179 0.81 HSD11B1 (0.46) HSD11B1BTKASGR1RAB9AKDM4D
SCHEMBL2380370 0.78 HSD11B1 (0.43) HSD11B1BTKASGR1KAT8RAB9A
SCHEMBL21541517 0.77 HSD11B1 (0.42) HSD11B1BTKASGR1KAT8KDM4D

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
WO-2020115506-A1 QUINOLINONE AND BENZOXAZINE DERIVATIVES AS MUSCARINIC M1 AND/OR M4 RECEPTOR AGONISTS HEPTARES THERAPEUTICS LIMITED (GB) 2020-06-11 WO disclosed