SCHEMBL11226832

SCHEMBL11226832

CCOC(=O)C=C(C)NC(=O)OCc1ccc(C(F)(F)F)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
TSHR P16473 2/20 0.39
KMT2A Q03164 3/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.36
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 2/20 0.35
MEN1 O00255 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
MMP12 P39900 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
BACE1 P56817 1/20 0.34
IDO1 P14902 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
PHGDH O43175 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
SCHEMBL11226830 1.00 SMN1; SMN2 (0.39) SMN1; SMN2TSHRKMT2APOLBKDM4E
SCHEMBL11264173 0.92 IDO1 (0.44) SMN1; SMN2TSHRKDM4EPTGDR2LMNA
SCHEMBL11220832 0.87 SMN1; SMN2 (0.52) SMN1; SMN2TSHRKMT2AKDM4EPTGDR2
SCHEMBL11220830 0.87 SMN1; SMN2 (0.52) SMN1; SMN2TSHRKMT2AKDM4EPTGDR2
SCHEMBL11228783 0.84 PHGDH (0.37) SMN1; SMN2TSHRKDM4EPTGDR2LMNA
SCHEMBL11228781 0.84 PHGDH (0.37) SMN1; SMN2TSHRKDM4EPTGDR2LMNA
SCHEMBL11232835 0.82 TSHR (0.39) SMN1; SMN2TSHRKMT2APOLBPTGDR2
SCHEMBL11232836 0.82 TSHR (0.39) SMN1; SMN2TSHRKMT2APOLBPTGDR2
SCHEMBL11221455 0.81 KMT2A (0.51) SMN1; SMN2KMT2APOLBKDM4EMMP12
SCHEMBL11221450 0.81 KMT2A (0.51) SMN1; SMN2KMT2APOLBKDM4EMMP12

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
US-4358606-A Esters of phenalkyloxycarbonylamino acids ZOECON CORPORATION (US) 1982-11-09 US disclosed