SCHEMBL9988784

SCHEMBL9988784

CCCCCC(CCC)Cc1ccc2c(c1C(=O)O)Cc1ccccc1O2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.36
HDAC1 Q13547 4/20 0.36
HDAC2 Q92769 4/20 0.36
HDAC8 Q9BY41 4/20 0.36
HDAC6 Q9UBN7 4/20 0.36
HDAC4 P56524 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC9 Q9UKV0 2/20 0.36
HDAC5 Q9UQL6 2/20 0.36
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.32
BID P55957 3/20 0.32

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
Potassium Ion SCHEMBL1913976 0.91 MAOA (0.31) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9989723 0.90 TSHR (0.38) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9055787 0.82 BID (0.50) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL2501503 0.82 BID (0.50) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL2811299 0.82 BID (0.50) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL2197127 0.82 BID (0.50) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL135629 0.82 BID (0.43) MAOAMAOBBIDMCL1BCL2L1
Zinc Ion SCHEMBL15157996 0.81 TSHR (0.36) HDAC3HDAC1HDAC2HDAC8HDAC6
Potassium Ion SCHEMBL1913954 0.81 TSHR (0.36) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL15158109 0.81 CA2 (0.37) HDAC3HDAC1HDAC2HDAC8HDAC6

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-2579987-B1 USE OF THE NATURALLY OCCURRING MAGNETIC COMPONENTS OF ORES BASF SE (DE) 2020-03-18 EP disclosed
US-8865000-B2 Utilization of the naturally occurring magnetic constituents of ores BASF SE (DE) 2014-10-21 US disclosed
EP-2579987-A1 USE OF THE NATURALLY OCCURRING MAGNETIC COMPONENTS OF ORES BASF SE (DE) 2013-04-17 EP disclosed
US-20110303772-A1 UTILIZATION OF THE NATURALLY OCCURING MAGNETIC CONSTITUENTS OF ORES SIEMENS AG (DE) 2011-12-15 US disclosed