SCHEMBL21846702

SCHEMBL21846702

CCC(C)N1C(=O)C2CCCCC2C1=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 2/20 0.34
LMNA P02545 2/20 0.34
PDE4A P27815 3/20 0.34
PDE4B Q07343 3/20 0.34
PDE4C Q08493 3/20 0.34
PDE4D Q08499 3/20 0.34
HTT P42858 1/20 0.33

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
SCHEMBL17532417 0.81 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL13532554 0.79 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL12308315 0.79 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL28890261 0.78 ALDH1A1 (0.36) ALDH1A1CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL1147306 0.77 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL28414469 0.75 SMN1; SMN2 (0.37) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL7802041 0.74 KDM4E (0.45) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL7796000 0.74 KDM4E (0.45) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL11628581 0.74 PDE4A (0.32) PDE4APDE4BPDE4CPDE4D
SCHEMBL13684308 0.74 MAPK1 (0.37) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E

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-2020068600-A1 UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 7 (USP7) MODULATORS AND USES THEREOF RAPT THERAPEUTICS, INC. (US) 2020-04-02 WO disclosed