SCHEMBL22644684

SCHEMBL22644684

CC(C)(C)OC(=O)NC[C@H]1CNCCCCO1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.38
EPHX1 P07099 1/20 0.36
HPGD P15428 5/20 0.36
KMT2A Q03164 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.34
ALOX12 P18054 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
TSHR P16473 2/20 0.34
MEN1 O00255 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL1266666 0.91 HCRTR2 (0.40) HCRTR2EPHX1KMT2ANPSR1MEN1
SCHEMBL12070332 0.91 HCRTR2 (0.40) HCRTR2EPHX1KMT2ANPSR1MEN1
SCHEMBL754567 0.91 HCRTR2 (0.40) HCRTR2EPHX1KMT2ANPSR1MEN1
SCHEMBL13840040 0.83 HCRTR2 (0.38) HCRTR2EPHX1HPGDKMT2ANPSR1
SCHEMBL28291895 0.82 HPGD (0.49) EPHX1HPGDKMT2ASMN1; SMN2USP2
SCHEMBL11888344 0.82 HPGD (0.49) EPHX1HPGDKMT2ASMN1; SMN2USP2
SCHEMBL4911658 0.80 SMN1; SMN2 (0.54) HPGDKMT2ASMN1; SMN2USP2TP53
SCHEMBL4911660 0.80 SMN1; SMN2 (0.54) HPGDKMT2ASMN1; SMN2USP2TP53
SCHEMBL25961852 0.80 SMN1; SMN2 (0.54) HPGDKMT2ASMN1; SMN2USP2TP53
SCHEMBL28662052 0.78 HCRTR2 (0.45) HCRTR2EPHX1HPGDKMT2ASMN1; SMN2

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-2020227168-A1 INHIBITING TRABID INTEGRAL EARLY DISCOVERY, INC. (US) 2020-11-12 WO disclosed