SCHEMBL8318359

SCHEMBL8318359

CC(C)(C)OC(=O)COc1cccc([S+](c2ccccc2)c2cccc(OCC(=O)OC(C)(C)C)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
HPGD P15428 2/20 0.45
POLB P06746 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PSEN1 P49768 2/20 0.44
PSEN2 P49810 2/20 0.44
APH1B Q8WW43 2/20 0.44
NCSTN Q92542 2/20 0.44
APH1A Q96BI3 2/20 0.44
PSENEN Q9NZ42 2/20 0.44
PTPN1 P18031 1/20 0.43
CTSK P43235 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40

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
SCHEMBL8319923 0.96 PSEN1 (0.44) MAPTLMNAHPGDPOLBCYP2C9
SCHEMBL8319585 0.94 PTPN1 (0.44) MAPTLMNAHPGDPOLBCYP2C9
SCHEMBL3206660 0.90 MAPT (0.48) MAPTLMNAHPGDPOLBCYP2C9
SCHEMBL8323037 0.90 PSEN1 (0.42) MAPTLMNAHPGDPOLBCYP2C9
SCHEMBL8319103 0.88 MAPT (0.40) MAPTLMNAHPGDPOLBCYP2C9
SCHEMBL8323320 0.87 PTPN1 (0.51) MAPTLMNAHPGDPOLBCYP2C9
SCHEMBL133377 0.87 PTPN1 (0.51) MAPTLMNAHPGDPOLBCYP2C9
SCHEMBL8644648 0.87 PTPN1 (0.40) MAPTLMNAHPGDPOLBCYP2C9
SCHEMBL8648346 0.87 PSEN1 (0.40) MAPTLMNAHPGDPOLBCYP2C9
SCHEMBL8646696 0.87 PSEN1 (0.40) MAPTLMNAHPGDPOLBCYP2C9

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
US-5880169-A HAVING HIGH RESOLUTION FOR FINE PATTERNING SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-03-09 US disclosed