SCHEMBL23798141

SCHEMBL23798141

CCN1CCC(O)(CC(=O)SC)CC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.35
OPRD1 P41143 2/20 0.35
OPRK1 P41145 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
HSD11B1 P28845 4/20 0.34
PKM P14618 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 2/20 0.32
GAA P10253 1/20 0.32
ATM Q13315 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
S1PR5 Q9H228 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL8948627 0.79 OPRM1 (0.41) OPRM1OPRD1OPRK1SMN1; SMN2HSD11B1
SCHEMBL12673901 0.72 KDM4E (0.39) OPRM1OPRD1OPRK1SMN1; SMN2HSD11B1
SCHEMBL23442163 0.70 KDM4E (0.46) OPRM1OPRD1OPRK1SMN1; SMN2HSD11B1
SCHEMBL10643969 0.69 KDM4E (0.41) OPRM1OPRD1OPRK1SMN1; SMN2HSD11B1
SCHEMBL14400310 0.69 KDM4E (0.37) OPRM1OPRD1OPRK1SMN1; SMN2HSD11B1
SCHEMBL14137688 0.67 OPRM1 (0.42) OPRM1OPRD1OPRK1SMN1; SMN2HSD11B1
Oxalic Acid SCHEMBL10644219 0.67 KDM4E (0.41) OPRM1OPRD1OPRK1SMN1; SMN2HSD11B1
SCHEMBL12125715 0.66 SMN1; SMN2 (0.47) OPRM1OPRD1OPRK1SMN1; SMN2HSD11B1
SCHEMBL23108902 0.66 KDM4E (0.35) OPRM1OPRD1OPRK1SMN1; SMN2KDM4E
SCHEMBL12618705 0.66 KDM4E (0.42) OPRM1OPRD1OPRK1SMN1; SMN2KDM4E

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-2021178920-A1 COMPOUNDS FOR TARGETED DEGRADATION OF BRD9 C4 THERAPEUTICS, INC. (US) 2021-09-10 WO disclosed