SCHEMBL26477236

SCHEMBL26477236

CCN1CCC(C(=O)OC(C)C)CC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
MAPT P10636 2/20 0.41
HSD11B1 P28845 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 1/20 0.39
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 2/20 0.37

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
Propane SCHEMBL28113027 0.81 TSHR (0.39) MAPTHSD11B1TP53ALDH1A1LMNA
SCHEMBL26031172 0.80 ALDH1A1 (0.47) SMN1; SMN2KMT2AALDH1A1GAAKDM4E
SCHEMBL25067239 0.79 TP53 (0.42) SMN1; SMN2MAPTTP53ALDH1A1
SCHEMBL10516690 0.79 SMN1; SMN2 (0.60) SMN1; SMN2MAPTHSD11B1MEN1KMT2A
SCHEMBL2657918 0.78
SCHEMBL1296764 0.78 TSHR (0.43) SMN1; SMN2HSD11B1KMT2ATP53ALDH1A1
SCHEMBL6990807 0.78 MAPT (0.62) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL23396158 0.78 HRH3 (0.50) SMN1; SMN2MAPTHSD11B1TP53ALDH1A1
SCHEMBL7379802 0.76 SMN1; SMN2 (0.56) SMN1; SMN2MAPTHSD11B1ALDH1A1GAA
SCHEMBL26030610 0.76 SMN1; SMN2 (0.56) SMN1; SMN2MAPTHSD11B1ALDH1A1GAA

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-2023072246-A1 PROLYL HYDROXYLASE DOMAIN-CONTAINING PROTEIN (PHD) INHIBITORS AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2023-05-04 WO disclosed