SCHEMBL28051280

SCHEMBL28051280

O=c1[nH]ccn1CCCCO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
RGS12 O14924 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
PABPC1 P11940 1/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TK1 P04183 2/20 0.37
PDE4B Q07343 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
DUT P33316 2/20 0.31

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
SCHEMBL28051378 0.94 ALDH1A1 (0.36) ALDH1A1KMT2AKDM4EMEN1RGS12
SCHEMBL13584600 0.78 KMT2A (0.40) ALDH1A1KMT2AMEN1PDE4BCYP2C9
SCHEMBL28284139 0.78 PDE4B (0.34) PDE4BDUT
SCHEMBL27783066 0.78 DUT (0.38) KMT2AMEN1PDE4BMAPTCYP2C9
SCHEMBL28028901 0.78 PDE4B (0.32) PDE4B
SCHEMBL913206 0.74 DUT (0.55) ALDH1A1LMNADUT
Acrylic Acid SCHEMBL27345054 0.74 LMNA (0.32) LMNAPDE4B
SCHEMBL24188802 0.74
SCHEMBL28051348 0.74
SCHEMBL25368590 0.73 NAAA (0.54) ALDH1A1LMNADUT

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-105229041-A Nitrogen-containing heterocycle compound modified polyolefin and containing its binder composition TOYO BOSEKI 2016-01-06 CN disclosed