SCHEMBL11060784

SCHEMBL11060784

C=CC(=O)OCCCC(=O)Nc1ccc(C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.56
HDAC1 Q13547 3/20 0.56
HDAC2 Q92769 3/20 0.56
HDAC10 Q969S8 3/20 0.56
HDAC11 Q96DB2 2/20 0.56
HDAC8 Q9BY41 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
HDAC4 P56524 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
NCOR2 Q9Y618 1/20 0.55
POLB P06746 3/20 0.52
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
MAPT P10636 3/20 0.50
TGM2 P21980 1/20 0.50
NPC1 O15118 1/20 0.50
TP53 P04637 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL11054572 0.82 HDAC8 (0.55) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL7056940 0.81 TGM2 (0.54) POLBMAPTTGM2NPC1TP53
SCHEMBL29315957 0.81 THRB (0.44) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL29321720 0.80 MMP3 (0.48) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL29315960 0.79 HDAC1 (0.61) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL29315958 0.79 HDAC1 (0.61) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL517697 0.78 HDAC3 (0.86) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL3253043 0.78 GAA (0.54) POLBHPGDMAPTTGM2NPC1
P-Xylene SCHEMBL10634907 0.77 TSHR (0.76) HPGDTP53KMT2ASMN1; SMN2L3MBTL1
SCHEMBL28855892 0.77 HDAC3 (0.66) HDAC3HDAC1HDAC2HDAC10HDAC11

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
US-4424100-A MONOUNSATURATED AND POLYUNSATURATED COMPOUNDS MOBIL OIL CORPORATION (US) 1984-01-03 US disclosed
EP-0018776-A2 Radiation curable coating compositions, process for preparing such compositions and substrates coated therewith MOBIL OIL CORPORATION (US) 1980-11-12 EP disclosed
US-4125503-A Ultraviolet curing emulsion systems MOBIL OIL CORPORATION (US) 1978-11-14 US disclosed
US-4072592-A ADDUCT OF ACRYLIC ACID AND EPOXY RESIN MOBIL OIL CORPORATION (US) 1978-02-07 US disclosed