SCHEMBL7786027

SCHEMBL7786027

CCCCC(CC)CC(c1ccccc1)S(=O)(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 1/20 0.49
CA2 P00918 1/20 0.43
CYP3A4 P08684 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
POLB P06746 1/20 0.40
LMNA P02545 2/20 0.40
SRC P12931 1/20 0.40
TRPA1 O75762 1/20 0.40
RECQL P46063 1/20 0.39

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
SCHEMBL7783813 0.90 NAAA (0.43) ALDH1A1KDM4EHDAC3HDAC4HDAC1
SCHEMBL7783794 0.88 NAAA (0.43) ALDH1A1KDM4EHDAC3HDAC4HDAC1
SCHEMBL3139635 0.84 SRC (0.47) ALDH1A1KDM4EPOLBLMNASRC
SCHEMBL8025012 0.83 SRC (0.46) ALDH1A1KDM4EPOLBLMNASRC
SCHEMBL3144320 0.80 TP53 (0.46) ALDH1A1KDM4EPOLBLMNASRC
SCHEMBL7787199 0.78 NAAA (0.48) ALDH1A1POLBSRCNAAA
SCHEMBL9809203 0.78 NAAA (0.48) ALDH1A1POLBSRCNAAA
SCHEMBL3616787 0.78 NAAA (0.48) ALDH1A1POLBSRCNAAA
SCHEMBL5701092 0.78 NAAA (0.48) ALDH1A1POLBSRCNAAA
SCHEMBL6117900 0.78 NAAA (0.48) ALDH1A1POLBSRCNAAA

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-0803548-B1 Colored thermoplastic resin composition ORIENT CHEMICAL IND (JP) 2001-10-24 EP disclosed
US-5827911-A BLACK DYE IS OBTAINED BY REACTION OF NIGROSINE AND ATLEAST ONE ANIONIC SURFACTANT SELECTED FROM SULFURIC ACID ESTER OR SALTS, PHSOPHORIC ACID ESTER OR SALTS, SULFONIC ACID OR SALTS AND CARBOXYLIC ACID OR SALTS ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-27 US disclosed
EP-0803548-A2 Colored thermoplastic resin composition ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-29 EP disclosed