SCHEMBL23933250

SCHEMBL23933250

CCCOC12CC3C[C@H](C1)C(=O)[C@@H](C3)C2

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.46
TSHR P16473 2/20 0.46
EPHX2 P34913 3/20 0.39
ALDH1A1 P00352 7/20 0.38
MEN1 O00255 2/20 0.38
HTT P42858 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 6/20 0.36
LMNA P02545 4/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
KDM4E B2RXH2 2/20 0.33
CYP3A4 P08684 1/20 0.31
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
MAPK1 P28482 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL23933284 1.00 NPSR1 (0.46) NPSR1TSHREPHX2ALDH1A1MEN1
SCHEMBL23933249 1.00 NPSR1 (0.46) NPSR1TSHREPHX2ALDH1A1MEN1
SCHEMBL1397825 0.87 NPSR1 (0.47) NPSR1TSHREPHX2ALDH1A1MEN1
SCHEMBL13005842 0.83 NPSR1 (0.49) NPSR1TSHREPHX2ALDH1A1MEN1
SCHEMBL2888682 0.81 NPSR1 (0.44) NPSR1TSHREPHX2ALDH1A1MEN1
SCHEMBL482480 0.80 ALDH1A1 (0.41) NPSR1TSHREPHX2ALDH1A1MEN1
SCHEMBL12861263 0.80 NPSR1 (0.42) NPSR1TSHREPHX2ALDH1A1MEN1
SCHEMBL4340777 0.80 NPSR1 (0.47) NPSR1TSHREPHX2ALDH1A1MEN1
SCHEMBL20901940 0.80 SMN1; SMN2 (0.34) NPSR1TSHRALDH1A1MEN1HTT
Ammonia Solution, Strong SCHEMBL11635039 0.78 ALDH1A1 (0.41) NPSR1TSHREPHX2ALDH1A1MEN1

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