SCHEMBL8319103

SCHEMBL8319103

CN(C)c1ccc([S+](c2cccc(OCC(=O)OC(C)(C)C)c2)c2cccc(OCC(=O)OC(C)(C)C)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ROCK2 O75116 2/20 0.39
OPRK1 P41145 1/20 0.38
PSEN1 P49768 3/20 0.38
PSEN2 P49810 3/20 0.38
APH1B Q8WW43 3/20 0.38
NCSTN Q92542 3/20 0.38
APH1A Q96BI3 3/20 0.38
PSENEN Q9NZ42 3/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL8318994 0.95 PSEN1 (0.38) MAPTALDH1A1KMT2AKDM4EROCK2
SCHEMBL8319923 0.89 PSEN1 (0.44) MAPTALDH1A1KDM4EOPRK1PSEN1
SCHEMBL8645334 0.88 PSEN1 (0.36) MAPTALDH1A1KMT2AKDM4EROCK2
SCHEMBL8646479 0.88 PSEN1 (0.38) MAPTALDH1A1KMT2AKDM4EROCK2
SCHEMBL7602827 0.88 MAPT (0.44) MAPTALDH1A1KMT2AKDM4EPSEN1
SCHEMBL8318359 0.88 MAPT (0.45) MAPTALDH1A1KMT2AKDM4EPSEN1
SCHEMBL8323037 0.83 PSEN1 (0.42) MAPTOPRK1PSEN1PSEN2APH1B
SCHEMBL8319585 0.82 PTPN1 (0.44) MAPTKMT2APSEN1PSEN2APH1B
SCHEMBL8322609 0.82 PSEN1 (0.43) MAPTALDH1A1KMT2AKDM4EPSEN1
SCHEMBL8322360 0.82 ELANE (0.40) MAPTALDH1A1KMT2AKDM4ENPC1

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