SCHEMBL27863602

SCHEMBL27863602

CC[CH]NS(=O)(=O)CCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
HPGD P15428 3/20 0.41
LMNA P02545 3/20 0.41
MAPK1 P28482 2/20 0.41
NPC1 O15118 1/20 0.41
S1PR2 O95136 1/20 0.41
S1PR4 O95977 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
XBP1 P17861 1/20 0.41
S1PR1 P21453 1/20 0.41
AGTR1 P30556 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 2/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL5878225 0.86 CYP3A4 (0.33) ALDH1A1MAPTHPGDLMNAMAPK1
SCHEMBL424438 0.79 HPGD (0.43) ALDH1A1MAPTHPGDLMNAMAPK1
SCHEMBL7614571 0.79 HPGD (0.43) ALDH1A1MAPTHPGDLMNAMAPK1
SCHEMBL1387740 0.77 ALDH1A1 (0.41) ALDH1A1MAPTHPGDLMNAMAPK1
SCHEMBL11178810 0.77 HPGD (0.41) ALDH1A1MAPTHPGDLMNAMAPK1
SCHEMBL1387998 0.75 ALDH1A1 (0.36) ALDH1A1MAPTHPGDLMNAMAPK1
SCHEMBL5893741 0.73
SCHEMBL667726 0.73 RELA (0.43) ALDH1A1MAPTLMNAMAPK1MEN1
SCHEMBL7446566 0.73 FAAH (0.43) ALDH1A1MAPTHPGDLMNAMAPK1
SCHEMBL1387997 0.72 HPGD (0.38) ALDH1A1MAPTHPGDLMNAMAPK1

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-101679548-B Fluorinated compositions and surface treatments made therefrom 3M INNOVATIVE PROPERTIES CO 2012-07-18 CN disclosed