SCHEMBL20171243

SCHEMBL20171243

O=CCCCCC(=O)Nc1ccc(Nc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.60
ALDH1A1 P00352 1/20 0.60
HPGD P15428 1/20 0.60
SOAT2 O75908 1/20 0.59
SOAT1 P35610 1/20 0.59
HDAC8 Q9BY41 12/20 0.58
HDAC6 Q9UBN7 11/20 0.58
HDAC2 Q92769 11/20 0.58
HDAC4 P56524 10/20 0.58
HDAC1 Q13547 10/20 0.58
HDAC7 Q8WUI4 10/20 0.58
HDAC11 Q96DB2 10/20 0.58
HDAC9 Q9UKV0 10/20 0.58
HDAC5 Q9UQL6 10/20 0.58
HDAC3 O15379 9/20 0.58
HDAC10 Q969S8 9/20 0.58
LTA4H P09960 2/20 0.58
KDM4E B2RXH2 1/20 0.58
BRD4 O60885 1/20 0.58
NCOR1 O75376 1/20 0.58

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
SCHEMBL8171773 0.94 SOAT2 (0.66) SOAT2SOAT1HDAC8HDAC6HDAC2
SCHEMBL15675695 0.92 SOAT2 (0.68) SOAT2SOAT1HDAC8HDAC6HDAC2
SCHEMBL28102785 0.89 HDAC8 (0.62) MAPTSOAT2SOAT1HDAC8HDAC6
SCHEMBL18660195 0.89 MAPT (0.74) MAPTALDH1A1HPGDHDAC8HDAC6
SCHEMBL8582253 0.82 L3MBTL1 (0.62) MAPTALDH1A1HPGDSOAT2SOAT1
SCHEMBL12112926 0.82 MAPT (0.79) MAPTALDH1A1HPGDHDAC8HDAC6
SCHEMBL517309 0.82 HDAC4 (0.81) HDAC8HDAC6HDAC2HDAC4HDAC1
SCHEMBL30535798 0.81 HDAC6 (0.87) MAPTALDH1A1HPGDHDAC8HDAC6
SCHEMBL22661266 0.81 HDAC8 (0.66) MAPTALDH1A1HPGDHDAC8HDAC6
SCHEMBL19170950 0.81 MEN1 (0.51) MAPTSOAT2SOAT1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2952505-B1 A HINDERED PHENOL COMPOUND, PREPARATION THEREOF AND USE THEREOF AS AN ANTIOXIDANT CHINA PETROLEUM & CHEM CORP (CN) 2018-05-23 EP disclosed