SCHEMBL8941860

SCHEMBL8941860

COc1ccc(N2C(=O)OC(COC(=O)c3ccc([N+](=O)[O-])cc3)C2C)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
CRHBP P24387 1/20 0.43
GFER P55789 1/20 0.43
CRHR2 Q13324 1/20 0.43
PRKCA P17252 1/20 0.43
RASGRP3 Q8IV61 1/20 0.43
RAB9A P51151 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 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
SCHEMBL8941854 1.00 MAPT (0.47) MAPTALDH1A1MEN1KMT2ACRHBP
SCHEMBL8941864 0.73 HSD11B1 (0.43) MEN1KMT2AGFERRAB9A
SCHEMBL4392088 0.73 ALDH1A1 (0.63) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL8941847 0.73 ALDH1A1 (0.63) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL8116171 0.71 RASGRP3 (0.54) MAPTALDH1A1MEN1KMT2APRKCA
SCHEMBL8115151 0.71 RASGRP3 (0.54) MAPTALDH1A1MEN1KMT2APRKCA
SCHEMBL8115155 0.71 RASGRP3 (0.54) MAPTALDH1A1MEN1KMT2APRKCA
SCHEMBL638794 0.70 ALDH1A1 (0.47) MAPTALDH1A1MEN1KMT2APRKCA
SCHEMBL10116852 0.69 MEN1 (0.57) MAPTALDH1A1MEN1KMT2ACRHBP
SCHEMBL8941897 0.69 GRM2 (0.42) MAPTALDH1A1MEN1KMT2AMAOA

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-5521202-A ANTIDIABETIC AGENTS TAIHO PHARMACEUTICAL CO., LTD. (JP) 1996-05-28 US disclosed
EP-0645387-A1 THIAZOLIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TAIHO PHARMACEUTICAL CO., LTD. (JP) 1995-03-29 EP disclosed