SCHEMBL9330738

SCHEMBL9330738

COc1cc(C=CC=CC(=O)OCC=C(C)CCC=C(C)CCC=C(C)C)ccc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 7/20 0.67
HDAC3 O15379 1/20 0.67
HDAC4 P56524 1/20 0.67
HDAC1 Q13547 1/20 0.67
HDAC7 Q8WUI4 1/20 0.67
HDAC2 Q92769 1/20 0.67
HDAC10 Q969S8 1/20 0.67
HDAC11 Q96DB2 1/20 0.67
HDAC8 Q9BY41 1/20 0.67
HDAC6 Q9UBN7 1/20 0.67
HDAC9 Q9UKV0 1/20 0.67
HDAC5 Q9UQL6 1/20 0.67
MTNR1A P48039 1/20 0.58
MAOB P27338 3/20 0.52
TTR P02766 1/20 0.52
TRPV1 Q8NER1 2/20 0.50
MAOA P21397 2/20 0.49
CAPN1 P07384 1/20 0.49
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49

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
SCHEMBL9332495 0.99 PTGES (0.66) PTGESHDAC3HDAC4HDAC1HDAC7
SCHEMBL9332503 0.99 PTGES (0.66) PTGESHDAC3HDAC4HDAC1HDAC7
SCHEMBL9332489 0.99 PTGES (0.66) PTGESHDAC3HDAC4HDAC1HDAC7
SCHEMBL18585756 0.92 PTGES (0.73) PTGESHDAC3HDAC4HDAC1HDAC7
SCHEMBL30302461 0.92 PTGES (0.73) PTGESHDAC3HDAC4HDAC1HDAC7
SCHEMBL29145012 0.92 PTGES (0.73) PTGESHDAC3HDAC4HDAC1HDAC7
SCHEMBL9333279 0.90 TTR (0.64) PTGESHDAC3HDAC4HDAC1HDAC7
SCHEMBL9333276 0.90 TTR (0.64) PTGESHDAC3HDAC4HDAC1HDAC7
SCHEMBL9330292 0.89 PTGES (0.70) PTGESHDAC3HDAC4HDAC1HDAC7
SCHEMBL9332519 0.89 PTGES (0.70) PTGESHDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0380669-B1 ISOPRENOID DERIVATIVES AND PHARMACEUTICAL PREPARATION CONTAINING SAME TERUMO CORP (JP) 1994-03-23 EP disclosed
US-5130483-A Antiulcer agents and enzyme inhibitors TERUMO KABUSHIKI KAISHA (JP) 1992-07-14 US disclosed
EP-0380669-A1 ISOPRENOID DERIVATIVES AND PHARMACEUTICAL PREPARATION CONTAINING SAME TERUMO KABUSHIKI KAISHA (JP) 1990-08-08 EP disclosed