SCHEMBL8764055

SCHEMBL8764055

C=C(C)COCC(O)CN(CCC)CCC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HSF1 Q00613 2/20 0.34
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.31
POLB P06746 2/20 0.31
NPSR1 Q6W5P4 1/20 0.30
USP2 O75604 1/20 0.30

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
SCHEMBL8763177 0.87 LMNA (0.43) HSF1LMNAHSD17B10POLBUSP2
SCHEMBL8762146 0.79 HIF1A (0.42) ALDH1A1LMNA
SCHEMBL8763293 0.79 HTT (0.32) LMNAHSD17B10USP2
SCHEMBL201963 0.78 KDM4E (0.34) KDM4ETDP1HSD17B10USP2
SCHEMBL16553158 0.77 KDM4E (0.35) KDM4EHSD17B10USP2
SCHEMBL4576292 0.76 ALDH1A1 (0.36) ALDH1A1HSD17B10
SCHEMBL347663 0.76 KDM4E (0.38) KDM4EHSD17B10
SCHEMBL1303312 0.75 LMNA (0.31) LMNA
SCHEMBL7049601 0.75 TSHR (0.37) ALDH1A1MEN1KMT2AKDM4ERAB9A
SCHEMBL13488462 0.74 USP2 (0.52) ALDH1A1MEN1KMT2AKDM4EMAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0783589-A1 TRANSPORTABILITY IMPROVER FOR PULVERIZED COAL Kao Corporation (JP) 1997-07-16 EP disclosed
WO-1996010093-A1 TRANSPORTABILITY IMPROVER FOR PULVERIZED COAL KAO CORPORATION (JP) 1996-04-04 WO disclosed
US-4663061-A Metal-working oil composition KAO CORPORATION (JP) 1987-05-05 US disclosed