SCHEMBL20144622

SCHEMBL20144622

CCCNC(=O)C(C)(C)CC(C)(C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.48
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
EPHX1 P07099 3/20 0.36
RIPK1 Q13546 1/20 0.36
CNR1 P21554 1/20 0.36
MCL1 Q07820 1/20 0.34
POLB P06746 1/20 0.32
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 2/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31

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
SCHEMBL21696330 0.89 EPHX1 (0.46) KDM4CMMP2EPHX1CNR1HTT
SCHEMBL22992626 0.84 EPHX1 (0.48) KDM4CMMP2EPHX1CNR1HTT
SCHEMBL18530841 0.84 KDM4C (0.40) KDM4CMMP1MMP2MMP3MMP9
SCHEMBL21946461 0.83 KDM4C (0.42) KDM4CMMP1MMP2MMP3MMP9
SCHEMBL24484549 0.83 RIPK1 (0.38) KDM4CMMP1MMP2MMP3MMP9
SCHEMBL20144634 0.82 GGT1 (0.33) KDM4CRIPK1POLBALDH1A1PAOX
SCHEMBL18461405 0.82 RIPK1 (0.32) KDM4CRIPK1POLB
SCHEMBL23519027 0.80 EPHX1 (0.42) KDM4CEPHX1CNR1POLBKMT2A
SCHEMBL21696331 0.79 RAB9A (0.38) CNR1GAALMNAL3MBTL1
SCHEMBL5021618 0.79 RIPK1 (0.48) KDM4CMMP1MMP2MMP3MMP9

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-3321279-B1 EXENATIDE MODIFIER AND USE THEREOF BRIGHTGENE BIO MEDICAL TECH CO LTD (CN) 2020-02-12 EP disclosed
EP-3321279-A1 EXENATIDE MODIFIER AND USE THEREOF Bright Gene Bio-Medical Technology Co., Ltd. (CN) 2018-05-16 EP disclosed