SCHEMBL27568161

SCHEMBL27568161

NCc1ccc(C(=O)CCCC(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 1/20 0.57
▸ HDAC3 O15379 2/20 0.56
▸ HDAC6 Q9UBN7 2/20 0.56
▸ HDAC4 P56524 1/20 0.56
▸ HDAC1 Q13547 1/20 0.56
▸ HDAC7 Q8WUI4 1/20 0.56
▸ HDAC2 Q92769 1/20 0.56
▸ HDAC10 Q969S8 1/20 0.56
▸ HDAC11 Q96DB2 1/20 0.56
▸ HDAC8 Q9BY41 1/20 0.56
▸ HDAC9 Q9UKV0 1/20 0.56
▸ HDAC5 Q9UQL6 1/20 0.56
▸ RAB9A P51151 4/20 0.52
▸ NPC1 O15118 4/20 0.52
▸ L3MBTL1 Q9Y468 3/20 0.50
▸ HSD17B10 Q99714 1/20 0.47
▸ TPSAB1 Q15661 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ NCOR2 Q9Y618 1/20 0.47
▸ LMNA P02545 2/20 0.47

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
SCHEMBL27498318 0.89 L3MBTL1 (0.62) PDE4BHDAC3HDAC6HDAC4HDAC1
SCHEMBL7822245 0.83 HSD17B10 (0.68) PDE4BHDAC3HDAC6HDAC4HDAC1
SCHEMBL27590407 0.81 HDAC3 (0.47) HDAC3HDAC6RAB9ANPC1L3MBTL1
SCHEMBL7829240 0.81 DPP4 (0.65) PDE4BHDAC3HDAC6HDAC4HDAC1
SCHEMBL5849323 0.81 PDE4B (0.62) PDE4BHDAC3HDAC6HDAC4HDAC1
SCHEMBL27623613 0.81 HSD17B3 (0.65) L3MBTL1LOXL2
Glutarate SCHEMBL28239405 0.80 HDAC3 (0.63) HDAC3HDAC6HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL9654275 0.79 PDE4B (0.59) PDE4BHDAC3HDAC6HDAC4HDAC1
SCHEMBL29288300 0.79 HSD17B3 (0.67) —
SCHEMBL11137211 0.79 HSD17B10 (0.62) HDAC3HDAC6HDAC4HDAC1HDAC7

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
CN-1391556-A novel IL-8 receptor antagonists FOURNIER IND & SANTE (FR) 2003-01-15 — — CN disclosed
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