SCHEMBL8087691

SCHEMBL8087691

CCCC(=CC(=O)OC)c1ccc(OC)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
ALDH1A1 P00352 2/20 0.48
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
NPC1 O15118 1/20 0.46
MMP1 P03956 1/20 0.45

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
SCHEMBL8480758 0.86 CA1 (0.50) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL8480763 0.86 CA1 (0.50) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL3250286 0.86 CA1 (0.50) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL11818262 0.84 CES1 (0.47) HDAC3HDAC1HDAC2CES2CES1
SCHEMBL10397714 0.82 PTAFR (0.51) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL10397715 0.82 PTAFR (0.51) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL9519833 0.78 HDAC3 (0.49) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL9519828 0.78 HDAC3 (0.49) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL9519824 0.78 HDAC3 (0.49) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL10357853 0.76 NQO2 (0.47) HDAC3HDAC1HDAC2HDAC4HDAC7

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-0862550-B1 CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE BASF AG (DE) 2000-11-08 EP disclosed
EP-0862550-A1 CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1998-09-09 EP disclosed
WO-1997009294-A1 CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1997-03-13 WO disclosed