SCHEMBL6579889

SCHEMBL6579889

CC(=O)c1cc(NC(=O)CCCCCCCCc2ccccc2)ccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.62
HDAC2 Q92769 6/20 0.62
HDAC3 O15379 5/20 0.62
HDAC4 P56524 5/20 0.62
HDAC7 Q8WUI4 5/20 0.62
HDAC10 Q969S8 5/20 0.62
HDAC11 Q96DB2 5/20 0.62
HDAC8 Q9BY41 5/20 0.62
HDAC6 Q9UBN7 5/20 0.62
HDAC9 Q9UKV0 5/20 0.62
HDAC5 Q9UQL6 5/20 0.62
EGFR P00533 4/20 0.62
TRPV1 Q8NER1 1/20 0.56
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
POLB P06746 1/20 0.55
ALOX15 P16050 3/20 0.53
NFKB1 P19838 2/20 0.52
NFKB2 Q00653 2/20 0.52
RELA Q04206 2/20 0.52

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
SCHEMBL6581728 0.84 ALOX15 (0.57) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL8844788 0.83 ALDH1A1 (0.62) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL17614784 0.83 ALDH1A1 (0.62) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL6579751 0.83 ALDH1A1 (0.62) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL8445092 0.83 ALDH1A1 (0.62) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL6581661 0.83 ALDH1A1 (0.62) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL6580500 0.82 EPHX2 (0.57) NPC1RAB9APOLBSMN1; SMN2ALDH1A1
SCHEMBL6577799 0.81 ALOX15 (0.57) HDAC1HDAC8TRPV1NPC1RAB9A
SCHEMBL29614981 0.79 MAPT (0.66) NPC1RAB9AALOX15SMN1; SMN2ALDH1A1
SCHEMBL6580317 0.79 NR1H4 (0.67) NPC1RAB9ASMN1; SMN2MAPT

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-0716088-B1 PROCESS FOR PRODUCING 2-(TETRAZOL-5-YL)-4-OXO-4H-BENZOPYRANS SUMITOMO CHEMICAL CO (JP) 2004-02-18 EP disclosed
US-5597929-A Production process of 2-(tetrazol-5-yl)-4-oxo-4H-benzopyran SUMITOMO CHEMICAL CO., LTD. (JP) 1997-01-28 US disclosed
EP-0716088-A1 PROCESS FOR PRODUCING 2-(TETRAZOL-5-YL)-4-OXO-4H-BENZOPYRANS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-06-12 EP disclosed