SCHEMBL8115151

SCHEMBL8115151

COc1ccc(N2C[C@@](C)(COC(=O)c3ccc([N+](=O)[O-])cc3)OC2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RASGRP3 Q8IV61 2/20 0.54
PRKCA P17252 1/20 0.54
MAPT P10636 5/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL8116171 1.00 RASGRP3 (0.54) RASGRP3PRKCAMAPTALDH1A1LMNA
SCHEMBL8115155 1.00 RASGRP3 (0.54) RASGRP3PRKCAMAPTALDH1A1LMNA
SCHEMBL196342 0.74 ATM (0.51) RASGRP3PRKCAMAPTALDH1A1MEN1
SCHEMBL8114711 0.74 GRM2 (0.41) MAPTALDH1A1LMNARAB9AGAA
SCHEMBL8114710 0.74 GRM2 (0.41) MAPTALDH1A1LMNARAB9AGAA
SCHEMBL3903585 0.74 ATM (0.51) RASGRP3PRKCAMAPTALDH1A1MEN1
SCHEMBL3899546 0.74 ATM (0.51) RASGRP3PRKCAMAPTALDH1A1MEN1
SCHEMBL8114709 0.74 GRM2 (0.41) MAPTALDH1A1LMNARAB9AGAA
SCHEMBL8941860 0.71 MAPT (0.47) RASGRP3PRKCAMAPTALDH1A1LMNA
SCHEMBL8941854 0.71 MAPT (0.47) RASGRP3PRKCAMAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0605729-B1 OXAZOLIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2000-07-26 EP disclosed
US-5521202-A ANTIDIABETIC AGENTS TAIHO PHARMACEUTICAL CO., LTD. (JP) 1996-05-28 US disclosed
US-5480899-A ANTILIPEMIC AGENTS TAIHO PHARMACEUTICAL CO., LTD. (JP) 1996-01-02 US disclosed
EP-0645387-A1 THIAZOLIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TAIHO PHARMACEUTICAL CO., LTD. (JP) 1995-03-29 EP disclosed
EP-0605729-A1 OXAZOLIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 1994-07-13 EP disclosed