SCHEMBL18743005

SCHEMBL18743005

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.36
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 3/20 0.31
CYP2C9 P11712 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
MCL1 Q07820 1/20 0.30
EPHX1 P07099 1/20 0.30
ALPL P05186 1/20 0.30
ALPI P09923 1/20 0.30
ALPG P10696 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 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
SCHEMBL13588042 0.79 EPHX1 (0.36) RAB9AKMT2AKDM4ECYP2C9SMN1; SMN2
SCHEMBL28895183 0.73 RAB9A (0.34) RAB9AALDH1A1KMT2AKDM4ECYP2C9
SCHEMBL28592120 0.72 TDP1 (0.35) MMP1MMP2MMP3MMP9MMP8
SCHEMBL969173 0.72 NPC1 (0.46) RAB9AMMP1MMP2MMP3MMP9
SCHEMBL23396753 0.70 POLB (0.42) RAB9AMMP1MMP2MMP9MMP8
SCHEMBL11950246 0.70 EPHX1 (0.34) RAB9AKMT2AKDM4ECYP2C9SMN1; SMN2
SCHEMBL10760000 0.70 ALDH1A1 (0.38) MMP1MMP2MMP3MMP9MMP8
SCHEMBL6859267 0.69 KDM4E (0.46) RAB9AALDH1A1KMT2AKDM4ECYP2C9
SCHEMBL27832109 0.69 ALDH1A1 (0.44) MMP1MMP2MMP3MMP9MMP8
SCHEMBL138082 0.69 EPHX1 (0.41) RAB9AALDH1A1KMT2AKDM4ECYP2C9

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-2017062688-A1 WNT SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2017-04-13 WO disclosed