SCHEMBL27506504

SCHEMBL27506504

O=C(O)CCCCCC(=O)ONC(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 4/20 0.54
▸ HDAC4 P56524 4/20 0.54
▸ HDAC1 Q13547 4/20 0.54
▸ HDAC7 Q8WUI4 4/20 0.54
▸ HDAC2 Q92769 4/20 0.54
▸ HDAC10 Q969S8 4/20 0.54
▸ HDAC11 Q96DB2 4/20 0.54
▸ HDAC8 Q9BY41 4/20 0.54
▸ HDAC6 Q9UBN7 4/20 0.54
▸ HDAC9 Q9UKV0 4/20 0.54
▸ HDAC5 Q9UQL6 4/20 0.54
▸ MAPT P10636 4/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ POLB P06746 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ MAPK1 P28482 1/20 0.50
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.46

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
SCHEMBL15993619 0.88 NAAA (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL26929523 0.86 NAAA (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27556286 0.86 ALDH1A1 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11129975 0.86 NAAA (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27626482 0.85 MAPT (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21793728 0.84 TBXAS1 (0.53) TBXA2R
SCHEMBL27367994 0.84 ALDH1A1 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28050070 0.84 KMT2A (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8459980 0.84 ALDH1A1 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27556144 0.82 POLB (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2

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
CN-1238347-C Heterocyclic derivatives NIPPON SHINYAKU CO LTD (JP) 2006-01-25 — — CN disclosed
CN-1430612-A Hete rocyclic derivatives NIPPON SHINYAKU CO LTD (JP) 2003-07-16 — — CN disclosed
Send feedback