SCHEMBL7839615

SCHEMBL7839615

O=C(O)CCNCCCS(=O)(=O)CCCl

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.43
BBOX1 O75936 3/20 0.35
LTA4H P09960 2/20 0.34
S1PR1 P21453 4/20 0.33
S1PR3 Q99500 2/20 0.33
S1PR5 Q9H228 1/20 0.32
FABP4 P15090 2/20 0.31
TSHR P16473 1/20 0.31
SLC22A6 Q4U2R8 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL7839738 0.89 APEX1 (0.46) APEX1BBOX1TSHR
SCHEMBL8480622 0.84
SCHEMBL9816629 0.84 APEX1 (0.45) APEX1LTA4HS1PR1S1PR3S1PR5
Hydrochloric Acid SCHEMBL8989710 0.82
SCHEMBL9084614 0.81 APEX1 (0.54) APEX1BBOX1TSHRSLC22A6LMNA
SCHEMBL9337368 0.78 RELA (0.33) TSHR
SCHEMBL10618138 0.78 FNTA (0.42) APEX1LTA4HS1PR1S1PR3S1PR5
SCHEMBL12540884 0.77 LTA4H (0.40) APEX1LTA4HS1PR1S1PR3S1PR5
SCHEMBL11335285 0.76 APEX1 (0.75) APEX1BBOX1TSHRSLC22A6LMNA
SCHEMBL9232005 0.76 APEX1 (0.37) APEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0675172-B1 Water-solable azo compounds, process for their preparation and their use as dyestuffs DYSTAR TEXTILFARBEN GMBH & CO (DE) 2001-04-11 EP disclosed
US-5770709-A BRILLIANT COLOR SHADES, GOOD FASTNESS DURING USE AT HIGH DEGREE OF FIXING DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 1998-06-23 US disclosed
US-5539088-A PROVIDE DYEINGS IN BRILLIANT SHADES WITH GOOD FASTNESS PROPERTIES AND HIGH DEGREE OF FIXATION HOECHST AKTIENGESELLSCHAFT (DE) 1996-07-23 US disclosed
EP-0629667-A1 Water-soluble fiber-reactive dyes, process for their preparation and the use thereof HOECHST AKTIENGESELLSCHAFT (DE) 1994-12-21 EP disclosed
EP-0382111-B1 Copper complex-formazane compounds, process for their preparation and their use as dyestuffs HOECHST AG (DE) 1994-06-08 EP disclosed
US-5015731-A For fibers such as wool and cellulose HOECHST AKTIENGESELLSCHAFT (DE) 1991-05-14 US disclosed
US-4908436-A Reactive dyes CIBA-GEIGY CORPORATION (US) 1990-03-13 US disclosed
US-4841028-A FOR COLD PAD-BATCH PROCESS HUNTSMAN INTERNATIONAL LLC 1989-06-20 US disclosed
US-4709018-A COLORFAST CIBA-GEIGY CORPORATION (US) 1987-11-24 US disclosed