SCHEMBL23933263

SCHEMBL23933263

CCCOC12CC3CC(C1)C(OC(=O)NC/C=C/CNC(=O)OC(C)(C)C)C(C3)C2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.38
DGAT1 O75907 1/20 0.38
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPK1 P28482 1/20 0.34
CACNA1H O95180 1/20 0.34
ALDH1A1 P00352 4/20 0.33
CYP2C9 P11712 2/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
MAPT P10636 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
EPHX2 P34913 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL23992082 0.87 MEN1 (0.34) HSD11B1MEN1KMT2AALDH1A1CYP2C9
Hydrochloric Acid SCHEMBL23933225 0.86 ALDH1A1 (0.33) HSD11B1MEN1KMT2AALDH1A1CYP2C9
SCHEMBL23933252 0.77 ALDH1A1 (0.40) HSD11B1MEN1KMT2AALDH1A1CYP2C9
SCHEMBL23992023 0.75
SCHEMBL23992080 0.74 SCN9A (0.34) HSD11B1MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL23933254 0.74 ALDH1A1 (0.36) HSD11B1MEN1KMT2AALDH1A1CYP2C9
SCHEMBL18262007 0.68 TDP1 (0.50) MEN1KMT2A
SCHEMBL18262010 0.68 TDP1 (0.50) MEN1KMT2A
SCHEMBL18487257 0.68 TDP1 (0.50) MEN1KMT2A
SCHEMBL23992105 0.68 THRB (0.36) ALDH1A1CYP2C9

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
WO-2021217040-A1 CARBAMATE AND UREA DERIVATIVES IMMVENTION THERAPEUTIX (US) 2021-10-28 WO disclosed
WO-2021217040-A1 CARBAMATE AND UREA DERIVATIVES IMMVENTION THERAPEUTIX (US) 2021-10-28 WO disclosed