SCHEMBL5599157

SCHEMBL5599157

Oc1ccccc1NCC(CC1CO1)C(CC1CO1)CC1CO1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.39
ALDH1A1 P00352 6/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
KDM4E B2RXH2 5/20 0.39
THRB P10828 2/20 0.39
ALOX12 P18054 1/20 0.39
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
GAA P10253 7/20 0.34
TP53 P04637 3/20 0.34
ALOX15 P16050 3/20 0.34
HSD17B10 Q99714 3/20 0.34
TSHR P16473 2/20 0.34
MCL1 Q07820 1/20 0.34
BCL2 P10415 1/20 0.34
HTT P42858 3/20 0.33
IDO1 P14902 1/20 0.33
LMNA P02545 3/20 0.33

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
SCHEMBL12971323 0.78 MAPT (0.44) MAPTALDH1A1MEN1KMT2AKDM4E
Water SCHEMBL28325022 0.77 MAPT (0.43) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL6551078 0.71 TDP1 (0.30) TDP1
SCHEMBL5599148 0.69 NPC1 (0.31) ALDH1A1HSD17B10SMN1; SMN2HPGDNPC1
SCHEMBL4229470 0.69 IDO1 (0.62) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL28902030 0.68 ALDH1A1 (0.36) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL28378706 0.67 TDP1 (0.34) ALDH1A1TP53TSHRSMN1; SMN2TDP1
SCHEMBL31450143 0.67 TDP1 (0.36) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL8419299 0.67 TSHR (0.34) MEN1KMT2ATSHR
SCHEMBL11839093 0.66 KDM4E (0.48) MAPTALDH1A1MEN1KMT2AKDM4E

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
EP-1385904-B1 LOW-DENSITY SEALING MASS, GROUND MASS AND METHOD FOR PRODUCING THE SAME AND THE USE THEREOF CHEMETALL GMBH (DE) 2007-04-11 EP disclosed