SCHEMBL28062804

SCHEMBL28062804

CCCCO[Si](CC)(OCCCC)c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.37
KCNH2 Q12809 4/20 0.33
ATP4A P20648 1/20 0.33
ATP4B P51164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
P2RX7 Q99572 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CNR1 P21554 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32

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
SCHEMBL705317 0.91 CYP2D6 (0.37) SMN1; SMN2NPC1RAB9AHSD17B10TDP1
SCHEMBL28062722 0.89 SMN1; SMN2 (0.33) SMN1; SMN2NPC1RAB9AHSD17B10POLB
SCHEMBL28062734 0.88 SMN1; SMN2 (0.38) SMN1; SMN2NPC1RAB9AHSD17B10POLB
SCHEMBL17937758 0.82 SMN1; SMN2 (0.39) SMN1; SMN2NPC1RAB9AHSD17B10POLB
SCHEMBL28062819 0.82 MGLL (0.36) SMN1; SMN2NPC1RAB9AALDH1A1TDP1
SCHEMBL17937618 0.81 SMN1; SMN2 (0.41) SMN1; SMN2NPC1RAB9AHSD17B10POLB
SCHEMBL706387 0.81 LTA4H (0.44) ALDH1A1TDP1L3MBTL1CYP3A4CYP2D6
SCHEMBL28827544 0.81 POLB (0.35) SMN1; SMN2POLBALDH1A1TDP1P2RX7
SCHEMBL28827525 0.81 SMN1; SMN2 (0.35) SMN1; SMN2NPC1RAB9AHSD17B10POLB
SCHEMBL28062721 0.80 KMT2A (0.42) SMN1; SMN2NPC1RAB9AHSD17B10ALDH1A1

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-105555901-A Polishing composition FUJIMI INC 2016-05-04 CN disclosed