SCHEMBL18798671

SCHEMBL18798671

CNC(=O)CCC(=O)OCn1cc(F)c(=O)[nH]c1=O

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.57
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
GRIA1 P42261 1/20 0.44
GRIA2 P42262 1/20 0.44
GRIA3 P42263 1/20 0.44
GRIA4 P48058 1/20 0.44
GRIK5 Q16478 1/20 0.44
CA12 O43570 8/20 0.41
CA9 Q16790 8/20 0.41
CA1 P00915 6/20 0.41
CA2 P00918 6/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPK3 P27361 1/20 0.38
ASAH1 Q13510 1/20 0.38
SQOR Q9Y6N5 1/20 0.38

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
SCHEMBL15760447 0.84 LMNA (0.59) LMNAKMT2AKDM4ECYP1A2GRIA1
SCHEMBL5479694 0.84 LMNA (0.67) LMNAKMT2AKDM4ECYP1A2GRIA1
SCHEMBL18800087 0.83 LMNA (0.53) LMNAKMT2AKDM4ECYP1A2GRIA1
SCHEMBL18913377 0.83 LMNA (0.54) LMNAKMT2AKDM4ECYP1A2GRIA1
SCHEMBL18798673 0.83 LMNA (0.50) LMNAKMT2AKDM4ECYP1A2GRIA1
SCHEMBL14999666 0.82 LMNA (0.64) LMNAKMT2AKDM4ECYP1A2GRIA1
SCHEMBL11399951 0.82 LMNA (0.64) LMNAKMT2AKDM4ECYP1A2GRIA1
SCHEMBL18800068 0.81 ALDH1A1 (0.48) LMNAKMT2AKDM4ECYP1A2GRIA1
SCHEMBL15760865 0.81 LMNA (0.60) LMNAKMT2AKDM4ECYP1A2GRIA1
SCHEMBL11396051 0.81 LMNA (0.62) LMNAKMT2AKDM4ECYP1A2GRIA1

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
US-9636404-B2 Pharmaceutical composition comprising modified hemoglobin-based therapeutic agent for cancer targeting treatment and diagnostic imaging VISION GLOBAL HOLDINGS LTD. (CN) 2017-05-02 US disclosed
US-9636404-B2 Pharmaceutical composition comprising modified hemoglobin-based therapeutic agent for cancer targeting treatment and diagnostic imaging VISION GLOBAL HOLDINGS LTD. (CN) 2017-05-02 US disclosed