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Sugi Predict / Compounds / SCHEMBL5329549

SCHEMBL5329549

SCHEMBL5329549

CC(OC(=O)CCc1ccccc1)OC(=O)NC(=N)N(C)C(C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.39
▸ FAAH O00519 3/20 0.39
▸ LTA4H P09960 1/20 0.38
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ACE P12821 1/20 0.36
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNB4 P30926 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ CHRNA4 P43681 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
SCHEMBL5332601 0.88 FAAH (0.37) TDP1FAAHLTA4HKMT2AMEN1
SCHEMBL5331040 0.82 HPGD (0.40) FAAHACECHRNB2CHRNB4CHRNA3
SCHEMBL5330532 0.82 SMN1; SMN2 (0.41) FAAHCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5331601 0.80 FAAH (0.39) FAAHCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5329546 0.78 PTGS1 (0.37) LTA4HKMT2A
SCHEMBL5331057 0.78 FAAH (0.38) TDP1FAAHKMT2AMEN1
SCHEMBL5324557 0.78 TSHR (0.46) KMT2A
SCHEMBL5331537 0.78 TSHR (0.46) FAAHLTA4H
SCHEMBL5330165 0.76 FOLH1 (0.39) TDP1FAAH
SCHEMBL5324777 0.75 FOLH1 (0.36) TDP1FAAH

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
WO-2007146086-A1 CREATINE PRODRUGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2007-12-21 — — WO disclosed