SCHEMBL10697776

SCHEMBL10697776

O=C(O)c1ccccc1-c1ccccc1OCCCCCCO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.53
HTT P42858 2/20 0.52
ALDH1A1 P00352 3/20 0.51
KMT2A Q03164 3/20 0.51
PTK2B Q14289 1/20 0.51
CNR2 P34972 2/20 0.48
KDM4E B2RXH2 2/20 0.48
PTGER1 P34995 2/20 0.47
CNR1 P21554 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 2/20 0.46
MCL1 Q07820 1/20 0.46
BAD Q92934 1/20 0.46
NR1I2 O75469 1/20 0.46
LMNA P02545 1/20 0.46
CHRM2 P08172 1/20 0.46
CYP3A4 P08684 1/20 0.46
ADRA2A P08913 1/20 0.46
MAPT P10636 1/20 0.46
OPRK1 P41145 1/20 0.46

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
SCHEMBL25788072 0.87 ALDH1A1 (0.67) PTPN11HTTALDH1A1KMT2APTK2B
SCHEMBL3624724 0.87 ALDH1A1 (0.67) PTPN11HTTALDH1A1KMT2APTK2B
SCHEMBL8722933 0.87 ALDH1A1 (0.67) PTPN11HTTALDH1A1KMT2APTK2B
SCHEMBL8906750 0.87 ALDH1A1 (0.67) PTPN11HTTALDH1A1KMT2APTK2B
SCHEMBL10751527 0.87 PTPN11 (0.70) PTPN11ALDH1A1KMT2AKDM4EMEN1
SCHEMBL10748772 0.87 PTPN11 (0.70) PTPN11ALDH1A1KMT2AKDM4EMEN1
SCHEMBL10752229 0.87 PTPN11 (0.70) PTPN11ALDH1A1KMT2AKDM4EMEN1
SCHEMBL10751579 0.87 PTPN11 (0.70) PTPN11ALDH1A1KMT2AKDM4EMEN1
SCHEMBL10748478 0.87 PTPN11 (0.70) PTPN11ALDH1A1KMT2AKDM4EMEN1
SCHEMBL9330862 0.87 PTPN11 (0.70) PTPN11ALDH1A1KMT2AKDM4EMEN1

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-0254178-A2 Orientated polymeric material MERCK PATENT GmbH (DE) 1988-01-27 EP disclosed