SCHEMBL9214760

SCHEMBL9214760

CCSCCCCCCCCCCC(=O)NC(CC)(C(=O)O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.41
HDAC3 O15379 4/20 0.41
HDAC4 P56524 4/20 0.41
HDAC1 Q13547 4/20 0.41
HDAC7 Q8WUI4 4/20 0.41
HDAC2 Q92769 4/20 0.41
HDAC10 Q969S8 4/20 0.41
HDAC11 Q96DB2 4/20 0.41
HDAC8 Q9BY41 4/20 0.41
HDAC9 Q9UKV0 4/20 0.41
HDAC5 Q9UQL6 4/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
KCNH2 Q12809 1/20 0.40
EPHX2 P34913 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CXCR2 P25025 1/20 0.37
TSHR P16473 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL9829630 0.81 ALOX5 (0.46) CYP3A4CXCR2NPC1LMNAHTT
SCHEMBL9829636 0.81 ALOX5 (0.46) CYP3A4CXCR2NPC1LMNAHTT
SCHEMBL9214749 0.74 EPHX2 (0.43) EPHX2MEN1KMT2A
SCHEMBL9214756 0.74 EPHX2 (0.43) EPHX2MEN1KMT2A
SCHEMBL8466544 0.73 MEN1 (0.71) CYP3A4EPHX2MEN1KMT2ALMNA
SCHEMBL9829583 0.73 CXCR2 (0.42) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL9829581 0.73 CXCR2 (0.42) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL8468027 0.72 MEN1 (0.69) CYP3A4EPHX2MEN1KMT2ALMNA
SCHEMBL28827908 0.72 EPHX2 (0.44) HDAC6EPHX2MEN1KMT2ACETP
SCHEMBL18112741 0.71 KMT2A (0.43) HDAC6HDAC3HDAC4HDAC1HDAC7

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-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