SCHEMBL30352385

SCHEMBL30352385

CC1CN(C(=O)O)CCC1CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.49
MAPK1 P28482 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
MMP2 P08253 2/20 0.45
MMP3 P08254 2/20 0.45
MMP9 P14780 2/20 0.45
MMP13 P45452 2/20 0.45
MMP1 P03956 1/20 0.45
TP53 P04637 1/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 2/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL25241327 1.00 HSD17B10 (0.49) HSD17B10MAPK1SMN1; SMN2MMP2MMP3
SCHEMBL25579580 0.84 BRD4 (0.48) HSD17B10TP53KDM4EL3MBTL1
SCHEMBL31157785 0.84 BRD4 (0.48) HSD17B10TP53KDM4EL3MBTL1
SCHEMBL23581880 0.77 HSD17B10 (0.53) HSD17B10MAPK1SMN1; SMN2ALDH1A1MAPT
SCHEMBL2883397 0.77 HSD17B10 (0.53) HSD17B10MAPK1SMN1; SMN2ALDH1A1MAPT
SCHEMBL15485406 0.76 KMT2A (0.48) HSD17B10MAPK1SMN1; SMN2TP53ALDH1A1
SCHEMBL28665643 0.75 KMT2A (0.45) HSD17B10MAPK1SMN1; SMN2ALDH1A1HPGD
SCHEMBL7389891 0.74 BRD4 (0.48) HSD17B10TP53KDM4EL3MBTL1
SCHEMBL7389897 0.74 BRD4 (0.48) HSD17B10TP53KDM4EL3MBTL1
SCHEMBL25223531 0.74 PPIB (0.58) HSD17B10MAPK1SMN1; SMN2TP53ALDH1A1

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-4429770-A1 BTK INHIBITORS Biogen MA Inc. (US) 2024-09-18 EP disclosed
WO-2023086521-A1 BTK INHIBITORS BIOGEN MA INC. (US) 2023-05-19 WO disclosed