SCHEMBL2032096

SCHEMBL2032096

C[C@H](NC(=O)OC(C)(C)C)C(=O)OCOC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.50
MGLL Q99685 2/20 0.46
MAPT P10636 6/20 0.45
ALDH1A1 P00352 5/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GAA P10253 4/20 0.45
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
HPGD P15428 1/20 0.43
BCL9 O00512 1/20 0.41
CTNNB1 P35222 1/20 0.41
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
GSTP1 P09211 1/20 0.38

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
SCHEMBL5521767 0.88 ALDH1A1 (0.57) HTR2AMGLLMAPTALDH1A1SMN1; SMN2
SCHEMBL2390983 0.87 MAPT (0.55) HTR2AMGLLMAPTALDH1A1SMN1; SMN2
SCHEMBL29401387 0.87 MAPT (0.55) HTR2AMGLLMAPTALDH1A1SMN1; SMN2
SCHEMBL2390989 0.87 MAPT (0.55) HTR2AMGLLMAPTALDH1A1SMN1; SMN2
SCHEMBL24058871 0.82 MGLL (0.52) HTR2AMGLLMAPTALDH1A1SMN1; SMN2
SCHEMBL19871006 0.82 MGLL (0.52) HTR2AMGLLMAPTALDH1A1SMN1; SMN2
SCHEMBL25911506 0.82 MAPT (0.53) HTR2AMGLLMAPTALDH1A1SMN1; SMN2
SCHEMBL28845985 0.81 PPARA (0.56) HTR2AMGLLMAPTALDH1A1SMN1; SMN2
SCHEMBL28845986 0.81 PPARA (0.56) HTR2AMGLLMAPTALDH1A1SMN1; SMN2
SCHEMBL28845978 0.81 ALDH1A1 (0.49) HTR2AMGLLMAPTALDH1A1SMN1; SMN2

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-20110150980-A1 CGRP ANALOG VASOGENIX PHARMACEUTICALS, INC. (US) 2011-06-23 US disclosed