SCHEMBL7584075

SCHEMBL7584075

N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(C(O)C(=O)c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.57
LNPEP Q9UIQ6 3/20 0.48
ERAP2 Q6P179 2/20 0.48
YARS1 P54577 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HDAC8 Q9BY41 2/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 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
SCHEMBL11880637 0.84 BACE1 (0.68) BACE1LNPEPERAP2YARS1GAA
SCHEMBL16993871 0.84 BACE1 (0.68) BACE1LNPEPERAP2YARS1GAA
SCHEMBL6442235 0.83 CTSL (0.56) GAAMAPTCRHBPCRHR2SMN1; SMN2
Hydrochloric Acid SCHEMBL5188432 0.82 BACE1 (0.67) BACE1LNPEPERAP2YARS1HDAC8
SCHEMBL6286737 0.77 BACE1 (0.63) BACE1MAPTHDAC8HDAC3HDAC4
SCHEMBL2544232 0.76 LMNA (0.77) GAAMAPTCES2LMNACES1
SCHEMBL2903186 0.75 BACE1 (0.58) BACE1LNPEPERAP2GAAMAPT
SCHEMBL7572986 0.75 BACE1 (0.53) BACE1LNPEPERAP2
SCHEMBL2312372 0.75 BACE1 (0.63) BACE1HDAC8CITSLC7A5LTA4H
SCHEMBL28279157 0.75 BACE1 (0.63) BACE1HDAC8CITSLC7A5LTA4H

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
EP-1224322-A2 GENE SEQUENCE VARIATIONS WITH UTILITY IN DETERMINING THE TREATMENT OF DISEASE Variagenics, Inc. (US) 2002-07-24 EP disclosed
WO-2000050639-A2 GENE SEQUENCE VARIATIONS WITH UTILITY IN DETERMINING THE TREATMENT OF DISEASE VARIAGENICS, INC. (US) 2000-08-31 WO disclosed