SCHEMBL31336003

SCHEMBL31336003

CC(C)(C)OC(=O)N1Cc2cccc(NCCN3CCOCC3)c2C1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 1/20 0.47
LMNA P02545 2/20 0.43
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
THRB P10828 2/20 0.41
NAMPT P43490 2/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 1/20 0.40
MTOR P42345 2/20 0.39
PIK3CA P42336 1/20 0.39
ACKR3 P25106 1/20 0.39

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
SCHEMBL31335950 0.83 DDB1 (0.47) ABHD6DDB1CRBNNAMPTMAPK1
SCHEMBL31013975 0.81 DDB1 (0.46) ABHD6DDB1CRBNNAMPTMAPK1
SCHEMBL31335935 0.81 DDB1 (0.49) ABHD6DDB1CRBNNAMPTMAPK1
SCHEMBL30368301 0.80 DDB1 (0.48) ABHD6DDB1CRBNUSP2SMN1; SMN2
SCHEMBL25669124 0.80 DDB1 (0.48) ABHD6DDB1CRBNUSP2SMN1; SMN2
SCHEMBL2335199 0.80 ABHD6 (0.72) ABHD6LMNACD274THRBNAMPT
SCHEMBL17686920 0.79 DDB1 (0.47) ABHD6DDB1CRBNNAMPTMAPK1
SCHEMBL31335629 0.78 NAMPT (0.45) DDB1CRBNNAMPTMAPK1
SCHEMBL31336063 0.77 DDB1 (0.43) DDB1CRBNSMN1; SMN2NAMPTMAPK1
SCHEMBL31335890 0.77 ACHE (0.48) LMNADDB1CRBNNAMPTMAPK1

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
EP-4720038-A1 (HETERO)ARYL-CARBONYL-HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PMS2 FOR CANCER AND DEGENERATIVE ILLNESSES Neophore Limited (GB) 2026-04-08 EP disclosed
WO-2024246496-A1 (HETERO)ARYL-CARBONYL-HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PMS2 FOR CANCER AND DEGENERATIVE ILLNESSES Neophore Limited (GB) 2024-12-05 WO disclosed