SCHEMBL7835696

SCHEMBL7835696

N#CCCSc1ccc(O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.41
CA2 P00918 2/20 0.41
HSP90AA1 P07900 1/20 0.41
KCNH2 Q12809 1/20 0.41
NR1H2 P55055 1/20 0.41
LMNA P02545 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
CA12 O43570 1/20 0.38
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
CTSK P43235 1/20 0.38
ALDH1A1 P00352 2/20 0.35
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL8746038 0.88 CYP19A1 (0.44) CYP19A1CA2HSP90AA1KCNH2NR1H2
SCHEMBL8746043 0.86 LMNA (0.45) CYP19A1CA2HSP90AA1KCNH2NR1H2
SCHEMBL4654471 0.82 MAOA (0.37) CYP19A1CA2HSP90AA1KCNH2CA12
SCHEMBL16591748 0.80 MAOB (0.40) CA2CA12MAOAMAOBALDH1A1
SCHEMBL10407904 0.79 NR1H2 (0.55) CYP19A1CA2HSP90AA1KCNH2NR1H2
SCHEMBL11617330 0.79 MAOA (0.49) LMNAMAOAMAOBALDH1A1MAPT
SCHEMBL15856977 0.79 NPC1 (0.47) ALDH1A1ESR1ESR2MAPTHPGD
SCHEMBL5178452 0.78 NR1H2 (0.44) CYP19A1CA2HSP90AA1KCNH2NR1H2
SCHEMBL6402484 0.78 ALDH1A1 (0.61) MAOAMAOBALDH1A1MAPK1
SCHEMBL537146 0.75 LMNA (0.56) CYP19A1CA2HSP90AA1KCNH2NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0686613-B1 OZONIDE REDUCING AGENT OTSUKA KAGAKU KK (JP) 2001-11-14 EP disclosed
CN-1044702-C Method for reducing ozone compound OTSUKA CHEMICAL CO LTD (JP) 1999-08-18 CN disclosed
US-5770729-A SULFIDE COMPOUND WITH POLAR SUBSTITUENTS, FORMATION OF SULFOXIDE, MILD CONDITIONS, SAFE, NONPOLLUTING OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1998-06-23 US disclosed
EP-0505198-B1 A method of enhancing a luminescent reaction, luminometric assay and kits for use in the same SANYO CHEMICAL IND LTD (JP) 1997-01-02 EP disclosed
CN-1120834-A Ozonide reducing agent OTSUKA KAGAKU KK (JP) 1996-04-17 CN disclosed
EP-0686613-A1 OZONIDE REDUCING AGENT OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1995-12-13 EP disclosed
US-5424194-A Chemiluminescence SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1995-06-13 US disclosed
EP-0505198-A1 A method of enhancing a luminescent reaction, luminometric assay and kits for use in the same SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1992-09-23 EP disclosed