SCHEMBL30557604

SCHEMBL30557604

CC(C)(C)OC(=O)NCC(=O)N1CCCCc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.53
AVPR2 P30518 1/20 0.53
GRM7 Q14831 3/20 0.53
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
PKM P14618 1/20 0.49
CTSK P43235 1/20 0.48
NR1I3 Q14994 1/20 0.48
LMNA P02545 1/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
NOTUM Q6P988 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL30557529 0.96 GRM7 (0.57) CTSLAVPR2GRM7ALDH1A1KDM4E
SCHEMBL3103616 0.96 GRM7 (0.57) CTSLAVPR2GRM7ALDH1A1KDM4E
SCHEMBL30557602 0.92 NOTUM (0.56) CTSLALDH1A1CTSKLMNAKMT2A
SCHEMBL25937485 0.82 SIGMAR1 (0.45) CTSLGRM7ALDH1A1NR1I3LMNA
SCHEMBL18688679 0.81 TSHR (0.55) ALDH1A1CTSKLMNAKMT2AMEN1
SCHEMBL27004712 0.81 CTSK (0.49) CTSLGRM7ALDH1A1CTSKKMT2A
SCHEMBL25430592 0.81 GRM7 (0.63) AVPR2GRM7ALDH1A1KDM4EPOLB
SCHEMBL30557646 0.81 BRD4 (0.48) CTSLGRM7ALDH1A1KDM4EKMT2A
SCHEMBL30557523 0.81 CHRM2 (0.46) CTSLGRM7ALDH1A1POLBCTSK
SCHEMBL25937592 0.81 CHRM2 (0.46) CTSLGRM7ALDH1A1POLBCTSK

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-2023144793-A1 POL THETA INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2023-08-03 WO disclosed