SCHEMBL7779895

SCHEMBL7779895

O=C(CCc1ccccc1)NCCS

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
HDAC2 Q92769 8/20 0.63
HDAC8 Q9BY41 8/20 0.63
HDAC6 Q9UBN7 8/20 0.63
HDAC3 O15379 7/20 0.63
HDAC4 P56524 7/20 0.63
HDAC1 Q13547 7/20 0.63
HDAC10 Q969S8 7/20 0.63
HDAC11 Q96DB2 7/20 0.63
HDAC9 Q9UKV0 7/20 0.63
HDAC7 Q8WUI4 6/20 0.63
HDAC5 Q9UQL6 6/20 0.63
MEN1 O00255 1/20 0.62
RAB9A P51151 1/20 0.62
KMT2A Q03164 1/20 0.62
KDM4E B2RXH2 1/20 0.60
LMNA P02545 1/20 0.60
GAA P10253 1/20 0.57
NCOR2 Q9Y618 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
SCHEMBL2186352 0.87 HDAC2 (0.72) HPGDL3MBTL1HDAC2HDAC8HDAC6
SCHEMBL10977476 0.86 HDAC3 (0.66) HPGDL3MBTL1HDAC2HDAC8HDAC6
SCHEMBL6290165 0.84 HPGD (0.66) HPGDL3MBTL1HDAC2HDAC8HDAC6
SCHEMBL3199145 0.84 LMNA (0.66) HPGDL3MBTL1HDAC2HDAC8HDAC6
SCHEMBL3681101 0.84 CNR2 (0.68) HPGDL3MBTL1HDAC2HDAC8HDAC6
SCHEMBL8744900 0.84 HPGD (0.81) HPGDL3MBTL1HDAC2HDAC8HDAC6
SCHEMBL4517102 0.82 HPGD (0.64) HPGDL3MBTL1HDAC2HDAC8HDAC6
SCHEMBL10963359 0.82 HPGD (0.64) HPGDL3MBTL1HDAC2HDAC8HDAC6
SCHEMBL6360887 0.82 HPGD (0.79) HPGDL3MBTL1HDAC2HDAC8HDAC6
SCHEMBL3683570 0.82 HPGD (0.64) HPGDL3MBTL1HDAC2HDAC8HDAC6

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
EP-0688314-B1 PRODRUG DERIVATIVES OF ENZYME INHIBITORS WITH HYDROXYL GROUPS, METHODS OF PREPARING THEM AND THEIR USE HOECHST AG (DE) 2001-10-04 EP disclosed
US-5804559-A WATER SOLUBILITY HOECHST AKTIENGESELLSCHAFT (DE) 1998-09-08 US disclosed
EP-0688314-A1 PRODRUG DERIVATIVES OF ENZYME INHIBITORS WITH HYDROXYL GROUPS, METHODS OF PREPARING THEM AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1995-12-27 EP disclosed
WO-1994021604-A1 PRODRUG DERIVATIVES OF ENZYME INHIBITORS WITH HYDROXYL GROUPS, METHODS OF PREPARING THEM AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1994-09-29 WO disclosed