SCHEMBL2637405

SCHEMBL2637405

COc1ccc(N(Cc2ccc(C[C@H](N)C(=O)O)cc2)C(=O)OCC2c3ccccc3-c3ccccc32)c(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FABP5 Q01469 1/20 0.39
▸ TPH1 P17752 9/20 0.39
▸ BMP1 P13497 1/20 0.37
▸ PPARG P37231 2/20 0.37
▸ PPARA Q07869 2/20 0.37
▸ TSPO P30536 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ CAPN1 P07384 1/20 0.35

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
SCHEMBL3805522 0.93 BMP1 (0.37) FABP5BMP1PPARGPPARATSPO
SCHEMBL28069712 0.89 FABP5 (0.45) FABP5TSPOMEN1KMT2A
SCHEMBL6298094 0.87 FABP5 (0.42) FABP5TSPOMEN1KMT2AMAPT
SCHEMBL208874 0.87 FABP5 (0.41) FABP5TSPOMEN1KMT2A
SCHEMBL4784032 0.87 FABP5 (0.41) FABP5TSPOMEN1KMT2ATDP1
SCHEMBL1526171 0.86 FABP5 (0.40) FABP5TSPOMEN1KMT2A
Norleucine SCHEMBL7204454 0.85 SLC1A5 (0.36) FABP5BMP1PPARGPPARAMEN1
SCHEMBL5372417 0.84 FABP5 (0.39) FABP5BMP1TSPOMEN1KMT2A
SCHEMBL5670740 0.83 FABP5 (0.39) FABP5BMP1TSPOMEN1KMT2A
SCHEMBL3433024 0.83 HSD17B10 (0.39) FABP5BMP1MEN1KMT2AMAPT

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-2438444-A1 IDENTIFICATION OF SMALL MOLECULES RECOGNIZED BY ANTIBODIES IN SUBJECTS WITH NEURODEGENERATIVE DISEASES The Board of Regents of The University of Texas System (US) 2012-04-11 — — EP disclosed
WO-2010141421-A1 IDENTIFICATION OF SMALL MOLECULES RECOGNIZED BY ANTIBODIES IN SUBJECTS WITH NEURODEGENERATIVE DISEASES THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-12-09 — — WO disclosed
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