SCHEMBL9220944

SCHEMBL9220944

O=C(CCCCCCCCCCCO)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.64
ACE P12821 2/20 0.58
CTSG P08311 1/20 0.58
CMA1 P23946 1/20 0.58
EPHX2 P34913 2/20 0.58
HDAC3 O15379 1/20 0.57
HDAC4 P56524 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57

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
SCHEMBL9220950 1.00 FAAH (0.64) FAAHACECTSGCMA1EPHX2
SCHEMBL27131599 0.98 FAAH (0.62) FAAHACECTSGCMA1EPHX2
SCHEMBL30831457 0.98 FAAH (0.62) FAAHACECTSGCMA1EPHX2
SCHEMBL26985755 0.98 FAAH (0.62) FAAHACECTSGCMA1EPHX2
SCHEMBL26646087 0.94 ACE (0.60) FAAHACECTSGCMA1EPHX2
SCHEMBL26986084 0.94 ACE (0.60) FAAHACECTSGCMA1EPHX2
SCHEMBL26985842 0.94 ACE (0.60) FAAHACECTSGCMA1EPHX2
SCHEMBL8750017 0.94 FAAH (0.70) FAAHACECTSGCMA1EPHX2
SCHEMBL2806565 0.92 FAAH (0.67) FAAHACECTSGCMA1EPHX2
SCHEMBL2806570 0.92 FAAH (0.67) FAAHACECTSGCMA1EPHX2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108640861-B Alkyne amide mediated 'one pot' process for preparing macrolides 江西师范大学 2021-12-14 CN claimed
CN-108640861-B Alkyne amide mediated 'one pot' process for preparing macrolides 江西师范大学 2021-12-14 CN disclosed
EP-0499521-B1 Inhibitors of N-myristoyltransferase, their preparation process and pharmaceutical compositions containing them ADIR (FR) 1995-06-14 EP disclosed
EP-0499521-A1 Inhibitors of N-myristoyltransferase, their preparation process and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1992-08-19 EP disclosed