SCHEMBL7962760

SCHEMBL7962760

BrCCCOCc1ccccc1.[MgH2]

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HRH4 Q9H3N8 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
NAAA Q02083 4/20 0.43
ALDH1A1 P00352 2/20 0.41
IDO1 P14902 1/20 0.41
LTA4H P09960 1/20 0.41
TRPA1 O75762 1/20 0.41
TEAD3 Q99594 1/20 0.40
AGXT P21549 1/20 0.40
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL281251 0.98 TSHR (0.58) TSHRTDP1L3MBTL1HRH4HRH3
SCHEMBL5857276 0.92 L3MBTL1 (0.53) TSHRTDP1L3MBTL1HRH4HRH3
SCHEMBL716935 0.92 TSHR (0.56) TSHRTDP1L3MBTL1HRH4HRH3
SCHEMBL517888 0.90 L3MBTL1 (0.54) TSHRTDP1L3MBTL1HRH4HRH3
SCHEMBL580258 0.90 L3MBTL1 (0.54) TSHRTDP1L3MBTL1HRH4HRH3
SCHEMBL5619569 0.90 L3MBTL1 (0.54) TSHRTDP1L3MBTL1HRH4HRH3
SCHEMBL850609 0.90 L3MBTL1 (0.54) TSHRTDP1L3MBTL1HRH4HRH3
SCHEMBL31490075 0.90 L3MBTL1 (0.54) TSHRTDP1L3MBTL1HRH4HRH3
SCHEMBL4229986 0.90 L3MBTL1 (0.54) TSHRTDP1L3MBTL1HRH4HRH3
SCHEMBL7564811 0.90 L3MBTL1 (0.54) TSHRTDP1L3MBTL1HRH4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6271238-B1 USEFUL IN TREATING AND PREVENTING DISEASES INVOLVING CHYMOTRYPSIN TYPE PROTEASES WHICH ARE RELATED TO ASTHMA, ALLERGY, INFLAMMATIONS, RHEUMATISM, HYPERTENSION, HEART FAILURE, MYOCARDIAL INFARCTION, AND CARDIAC HYPERTROPHY NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2001-08-07 US disclosed
EP-0936216-A1 NOVEL ACETAMIDE DERIVATIVES AND PROTEASE INHIBITORS NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1999-08-18 EP disclosed