SCHEMBL9339587

SCHEMBL9339587

[CH2]CCOCCCCOC(=O)CC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.59
HTT P42858 1/20 0.44
RAD52 P43351 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
FAAH O00519 1/20 0.37
TSHR P16473 4/20 0.36
HTR2C P28335 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
DGKA P23743 1/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CES2 O00748 1/20 0.34
HPGD P15428 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
CYP3A4 P08684 1/20 0.33
DNM1 Q05193 1/20 0.33
EPHX1 P07099 1/20 0.33

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
SCHEMBL11409696 0.89 NAAA (0.71) NAAAHTTRAD52NPSR1FAAH
SCHEMBL9490853 0.88 NAAA (0.47) NAAAHTTTSHRDGKAGAA
SCHEMBL128836 0.85 NAAA (0.65) NAAAHTTRAD52NPSR1FAAH
SCHEMBL20293873 0.83 NAAA (0.76) NAAAHTTRAD52NPSR1FAAH
SCHEMBL15953232 0.83 NAAA (0.69) NAAAHTTRAD52NPSR1FAAH
SCHEMBL20293877 0.83 NAAA (0.69) NAAAHTTRAD52NPSR1FAAH
SCHEMBL7839868 0.83 NAAA (0.69) NAAAHTTRAD52NPSR1FAAH
SCHEMBL130965 0.83 NAAA (0.69) NAAAHTTRAD52NPSR1FAAH
SCHEMBL296867 0.83 NAAA (0.69) NAAAHTTRAD52NPSR1FAAH
SCHEMBL7843054 0.83 NAAA (0.69) NAAAHTTRAD52NPSR1FAAH

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-0390024-B1 Azodyes with a diazo component of the aminobenzoisothiazole series BASF AG (DE) 1994-06-08 EP disclosed
EP-0315899-B1 THIEN-3-YL AZO DYES BASF Aktiengesellschaft (DE) 1993-04-07 EP disclosed
EP-0315898-B1 ISOTHIAZOLE AZO DYES BASF Aktiengesellschaft (DE) 1993-01-20 EP disclosed
US-5175265-A Useful for dyeing synthetic fibers, such as polyamides, polyesters and cellulose esters BASF AKTIENGESELLSCHAFT (DE) 1992-12-29 US disclosed
US-4994564-A Dyeing synthetic fibers in shades of red, yellow BASF AKTIENGESELLSCHAFT (DE) 1991-02-19 US disclosed
EP-0390024-A1 Azodyes with a diazo component of the aminobenzoisothiazole series BASF Aktiengesellschaft (DE) 1990-10-03 EP disclosed
US-4929720-A YELLOW DYES FOR SYNTHETIC FIBERS BASF AKTIENGESELLSCHAFT (DE) 1990-05-29 US disclosed
EP-0315899-A2 Thien-3-yl azo dyes BASF Aktiengesellschaft (DE) 1989-05-17 EP disclosed
EP-0315898-A2 Isothiazole azo dyes BASF Aktiengesellschaft (DE) 1989-05-17 EP disclosed