SCHEMBL8690101

SCHEMBL8690101

CCOC(=O)Cn1c(C(=O)OCc2ccccc2)cc2cc(F)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TSHR P16473 3/20 0.47
HSD17B10 Q99714 1/20 0.47
KDM4E B2RXH2 3/20 0.46
MAPT P10636 2/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 4/20 0.46
HK1 P19367 1/20 0.46
HKDC1 Q2TB90 1/20 0.46
NOD2 Q9HC29 2/20 0.46
NOD1 Q9Y239 2/20 0.46
F10 P00742 4/20 0.46
LTB4R Q15722 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
POLB P06746 2/20 0.42

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
SCHEMBL8689468 0.84 ALDH1A1 (0.55) MEN1KMT2ANPSR1SMN1; SMN2LMNA
SCHEMBL18733289 0.84 F10 (0.52) MEN1KMT2AMAPTF10LTB4R
SCHEMBL8694830 0.83 MEN1 (0.69) MEN1KMT2ASMN1; SMN2LMNAL3MBTL1
SCHEMBL830229 0.83 KDM4E (0.49) MEN1KMT2ANPSR1SMN1; SMN2LMNA
SCHEMBL6741019 0.81 MEN1 (0.47) MEN1KMT2ASMN1; SMN2KDM4EMAPT
SCHEMBL18733230 0.80 MAOA (0.51) MEN1KMT2AMAPTF10LTB4R
SCHEMBL18733434 0.78 MEN1 (0.53) MEN1KMT2ANPSR1SMN1; SMN2LMNA
SCHEMBL7688134 0.78 F10 (0.46) MEN1KMT2AKDM4EALDH1A1NOD2
SCHEMBL7684727 0.78 F10 (0.46) MEN1KMT2ALMNAL3MBTL1KDM4E
SCHEMBL832448 0.78 F10 (0.61) MEN1KMT2ANPSR1SMN1; SMN2LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5760032-A GASTROINTESTINAL DISORDERS AND NERVOUS SYSTEM DISORDERS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-06-02 US disclosed
EP-0776892-A1 THIENYLAZOLE COMPOUND AND THIENOTRIAZOLODIAZEPINE COMPOUND YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-06-04 EP disclosed