SCHEMBL28876089

SCHEMBL28876089

CCCC(NC(=O)CN1CCN(C)CC1)C(O)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.50
KDM4E B2RXH2 2/20 0.40
ALOX15 P16050 1/20 0.37
CYP2C19 P33261 1/20 0.37
CHRM5 P08912 1/20 0.36
CHRM3 P20309 1/20 0.36
ALDH1A1 P00352 5/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALPL P05186 1/20 0.34
PTBP1 P26599 1/20 0.34

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
SCHEMBL21176212 0.77 SIGMAR1 (0.44) SIGMAR1KDM4EALOX15ALDH1A1MEN1
SCHEMBL28772885 0.71 SIGMAR1 (0.58) SIGMAR1KDM4EALOX15CYP2C19CHRM5
SCHEMBL2629206 0.71 SIGMAR1 (0.66) SIGMAR1KDM4EALOX15CYP2C19CHRM5
SCHEMBL22236823 0.71 SIGMAR1 (0.54) SIGMAR1KDM4EALOX15CYP2C19CHRM5
SCHEMBL22236825 0.71 SIGMAR1 (0.54) SIGMAR1KDM4EALOX15CYP2C19CHRM5
SCHEMBL23095532 0.67 SIGMAR1 (0.74) SIGMAR1KDM4EALOX15CYP2C19CHRM5
SCHEMBL14943718 0.67 CA1 (0.36) CHRM3CA1CA2TSHR
SCHEMBL8613123 0.67 SIGMAR1 (0.51) SIGMAR1KDM4EALOX15CYP2C19ALDH1A1
SCHEMBL19364680 0.66 SIGMAR1 (0.44) SIGMAR1KDM4EALOX15CHRM3ALDH1A1
SCHEMBL8396113 0.66 SIGMAR1 (0.55) SIGMAR1KDM4EALOX15CYP2C19ALDH1A1

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
CN-110062753-A Antiviral compounds 哈普洛根有限责任公司 2019-07-26 CN disclosed