SCHEMBL31444388

SCHEMBL31444388

CC(C)(C)OC(=O)N1CCCC1(C)c1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.42
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
STS P08842 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HDAC4 P56524 1/20 0.38
HCRTR1 O43613 2/20 0.37
HCRTR2 O43614 2/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
HSD11B1 P28845 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
JAK3 P52333 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL6072282 1.00 KDM1A (0.42) KDM1ANR1H2NR1H3STSMEN1
SCHEMBL18642718 0.82 NR1H2 (0.53) KDM1ANR1H2NR1H3GRIN2BGRIN2C
SCHEMBL28815574 0.82 NR1H2 (0.53) KDM1ANR1H2NR1H3GRIN2BGRIN2C
SCHEMBL16004573 0.82 NR1H2 (0.53) KDM1ANR1H2NR1H3GRIN2BGRIN2C
SCHEMBL19462823 0.80 MEN1 (0.48) NR1H2NR1H3STSMEN1KMT2A
SCHEMBL19459203 0.80 MEN1 (0.48) NR1H2NR1H3STSMEN1KMT2A
SCHEMBL653342 0.74 STS (0.47) KDM1ASTSMEN1KMT2AHDAC1
SCHEMBL22300965 0.74 RORC (0.46) NR1H2NR1H3GRIN2BGRIN2CJAK3
SCHEMBL22300220 0.74 USP30 (0.42) NR1H2NR1H3HCRTR1HCRTR2GRIN2B
SCHEMBL16797988 0.74 HCRTR1 (0.63) HCRTR1HCRTR2

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-2025072451-A1 RAS-PI3K INHIBITORS FOR THE TREATMENT OF CANCER AND IMMUNOLOGICAL DISEASES VIVIDION THERAPEUTICS, INC. (US) 2025-04-03 WO disclosed