SCHEMBL23396753

SCHEMBL23396753

C=C(NC(C)C)C(=O)NC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.37
KDM4E B2RXH2 3/20 0.34
RAB9A P51151 1/20 0.34
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
CA9 Q16790 1/20 0.32
CYP2C9 P11712 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
EPHX1 P07099 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL12213909 0.79 POLB (0.46) POLBTSHRKDM4ERAB9ACA12
SCHEMBL22168551 0.79 POLB (0.35) POLB
SCHEMBL13588042 0.79 EPHX1 (0.36) POLBKDM4ERAB9ACYP2C9SMN1; SMN2
SCHEMBL5019737 0.72 POLB (0.48) POLBTSHRRAB9ACA12CA1
SCHEMBL11950246 0.70 EPHX1 (0.34) KDM4ERAB9ACYP2C9SMN1; SMN2EPHX1
SCHEMBL18743005 0.70 RAB9A (0.36) KDM4ERAB9AMMP1MMP2MMP9
SCHEMBL6859267 0.69 KDM4E (0.46) POLBKDM4ERAB9ACYP2C9SMN1; SMN2
SCHEMBL138082 0.69 EPHX1 (0.41) POLBKDM4ERAB9ACYP2C9SMN1; SMN2
SCHEMBL9171219 0.69 ALDH1A1 (0.36) POLBKDM4ERAB9ACYP2C9SMN1; SMN2
SCHEMBL3277816 0.69

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
EP-3359154-B1 WNT SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2021-05-26 EP disclosed