SCHEMBL30872129

SCHEMBL30872129

CCOC(=O)C(c1ccnc(Cl)c1)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMARCA2 P51531 1/20 0.38
SMARCA4 P51532 1/20 0.38
GPR119 Q8TDV5 2/20 0.38
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
KCNH2 Q12809 1/20 0.38
FFAR2 O15552 2/20 0.37
RECQL P46063 1/20 0.37
LOX P28300 1/20 0.37
LOXL3 P58215 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
EPHX1 P07099 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 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
SCHEMBL13332664 0.87 GPR119 (0.44) LMNASMN1; SMN2HTTALDH1A1MAPT
SCHEMBL1979197 0.87 GPR119 (0.44) LMNASMN1; SMN2HTTALDH1A1MAPT
SCHEMBL26685092 0.86 KMT2A (0.43) LMNASMARCA2SMARCA4OPRM1OPRK1
SCHEMBL2370569 0.85 MMP8 (0.41) LMNASMN1; SMN2HTTALDH1A1MAPT
SCHEMBL27883965 0.81 MMP8 (0.41) LMNASMN1; SMN2HTTALDH1A1MAPT
SCHEMBL27273649 0.77 ALDH1A1 (0.41) LMNASMN1; SMN2HTTALDH1A1MAPT
SCHEMBL23027132 0.76 FFAR2 (0.56) LMNASMN1; SMN2HTTALDH1A1MAPT
SCHEMBL11062117 0.76 FFAR2 (0.56) LMNASMN1; SMN2HTTALDH1A1MAPT
SCHEMBL29272210 0.74 PTGS1 (0.47) SMARCA2SMARCA4OPRM1OPRK1KCNH2
SCHEMBL27481923 0.73 AKR1C3 (0.48) LMNASMN1; SMN2ALDH1A1MAPTSMARCA2

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
CN-117940404-A Tricyclic compounds as Cbl-b inhibitors 海南先声再明医药股份有限公司 2024-04-26 CN disclosed